SCHEMBL208701

SCHEMBL208701

C=C(F)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
MAOA P21397 3/20 0.46
MAOB P27338 3/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
BCL2L1 Q07817 1/20 0.42
BAD Q92934 1/20 0.42
PTPN1 P18031 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LTA4H P09960 1/20 0.39
ORAI1 Q96D31 1/20 0.38
ORAI2 Q96SN7 1/20 0.38
ORAI3 Q9BRQ5 1/20 0.38
TRPV6 Q9H1D0 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8865378 0.79 MAPT (0.55) CES2CES1MAOAMAOBCA1
SCHEMBL18689505 0.79 CES2 (0.52) CES2CES1MAOAMAOBCA1
SCHEMBL27641076 0.77 MAPT (0.60) CES2CA1CA2NPC1RAB9A
SCHEMBL10363954 0.77 CES2 (0.50) CES2CES1MAOAMAOBCA1
SCHEMBL17081962 0.77 CES2 (0.50) CES2CES1MAOAMAOBCA1
SCHEMBL17289141 0.75 CES2 (0.55) CES2CES1MAOAMAOBCA1
SCHEMBL8253407 0.74 MAOA (0.50) CES2CES1MAOAMAOBCA1
SCHEMBL942232 0.74 CES2 (0.48) CES2CES1MAOAMAOBCA1
SCHEMBL13716859 0.74 CES2 (0.48) CES2CES1MAOAMAOBCA1
SCHEMBL8587179 0.74 CES2 (0.48) CES2CES1MAOAMAOBCA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US claimed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP claimed
EP-3433239-B1 SMALL MOLECULE INHIBITORS OF THE NUCLEAR TRANSLOCATION OF ANDROGEN RECEPTOR FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER UNIV PITTSBURGH COMMONWEALTH SYS HIGHER EDUCATION (US) 2026-05-27 EP disclosed
US-11766433-B2 Small molecule inhibitors of the nuclear translocation of androgen receptor for the treatment of castration-resistant prostate cancer UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-09-26 US disclosed
US-11766433-B2 Small molecule inhibitors of the nuclear translocation of androgen receptor for the treatment of castration-resistant prostate cancer UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-09-26 US disclosed
US-11766433-B2 Small molecule inhibitors of the nuclear translocation of androgen receptor for the treatment of castration-resistant prostate cancer UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-09-26 US disclosed
US-20210186963-A1 SMALL MOLECULE INHIBITORS OF THE NUCLEAR TRANSLOCATION OF ANDROGEN RECEPTOR FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-06-24 US disclosed
US-20210186963-A1 SMALL MOLECULE INHIBITORS OF THE NUCLEAR TRANSLOCATION OF ANDROGEN RECEPTOR FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-06-24 US disclosed
US-10980806-B2 Small molecule inhibitors of the nuclear translocation of androgen receptor for the treatment of castration-resistant prostate cancer University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2021-04-20 US disclosed
US-10980806-B2 Small molecule inhibitors of the nuclear translocation of androgen receptor for the treatment of castration-resistant prostate cancer University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2021-04-20 US disclosed
EP-3433239-A1 SMALL MOLECULE INHIBITOR OF THE NUCLEAR TRANSLOCATION OF ANDROGEN RECEPTOR FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER University of Pittsburgh- Of the Commonwealth System of Higher Education (US) 2019-01-30 EP disclosed
WO-2017165822-A1 SMALL MOLECULE INHIBITOR OF THE NUCLEAR TRANSLOCATION OF ANDROGEN RECEPTOR FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-09-28 WO disclosed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
EP-2183213-A2 OPTICALLY ACTIVE (R)-ARYLOXYPROPIONIC ACID AMIDES AND HERBICIDAL COMPOSITION COMPRISING SAME Kyung Nong Corporation (KR) 2010-05-12 EP disclosed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US disclosed
WO-2009005297-A2 OPTICALLY ACTIVE (R)-ARYLOXYPROPIONIC ACID AMIDES AND HERBICIDAL COMPOSITION COMPRISING SAME KYUNG NONG CORPORATION (KR) 2009-01-08 WO disclosed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP disclosed
US-5313001-A Reacting a halogenated aromatic compound with a 1,1-difluoro ethylene compound in presence of palladium catalyst HOECHST AKTIENGESELLSCHAFT (DE) 1994-05-17 US disclosed
EP-0530208-A1 PROCESS FOR PRODUCING ALPHA-FLUOROSTYROLS HOECHST AKTIENGESELLSCHAFT (DE) 1993-03-10 EP disclosed
WO-1991016286-A1 PROCESS FOR PRODUCING α-FLUOROSTYROLS HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-31 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210186963-A1 SMALL MOLECULE INHIBITORS OF THE NUCLEAR TRANSLOCATION OF ANDROGEN RECEPTOR FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER AR, NR0B1, NCOA3 CES2 2509/4885CES1 1072/4885MAOA 3271/4885
US-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 CES2 3344/4885CES1 562/4885MAOA 65/4885
US-11766433-B2 Small molecule inhibitors of the nuclear translocation of androgen receptor for the treatment of castration-resistant prostate cancer AR, NR0B1, NCOA3 CES2 2818/4885CES1 1179/4885MAOA 3574/4885
US-10980806-B2 Small molecule inhibitors of the nuclear translocation of androgen receptor for the treatment of castration-resistant prostate cancer AR, NR0B1, NCOA3 CES2 2818/4885CES1 1179/4885MAOA 3574/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.