SCHEMBL8584

SCHEMBL8584

O=C(CF)c1ccc(F)cc1F

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.63
CES1 P23141 3/20 0.63
ACKR3 P25106 5/20 0.48
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
KCNH2 Q12809 1/20 0.42
SNCA P37840 1/20 0.41

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
SCHEMBL27764538 0.83 CES2 (0.63) CES2CES1
SCHEMBL29746067 0.82 CES2 (0.61) CES2CES1ACKR3L3MBTL1KCNH2
SCHEMBL13959406 0.82 CES2 (0.61) CES2CES1ACKR3L3MBTL1RAB9A
SCHEMBL29669985 0.82 CES2 (0.61) CES2CES1ACKR3L3MBTL1RAB9A
SCHEMBL31529633 0.82 CES2 (0.61) CES2CES1ACKR3L3MBTL1RAB9A
SCHEMBL962932 0.82 CES2 (0.61) CES2CES1ACKR3L3MBTL1RAB9A
SCHEMBL196379 0.82 CES2 (0.61) CES2CES1ACKR3L3MBTL1KCNH2
SCHEMBL19104747 0.82 CES2 (0.61) CES2CES1ACKR3L3MBTL1RAB9A
SCHEMBL2597507 0.82 CES2 (0.61) CES2CES1ACKR3L3MBTL1RAB9A
SCHEMBL31573474 0.80 PKM (0.45) CES2CES1RAB9AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116854621-A Photosensitizer taking pentamethine cyanine dye as matrix, and synthesis method and application thereof 大连理工大学 2023-10-10 CN disclosed
CN-105712945-B 2-substituted oxy-5-methylsulfonyl aryl piperazine amide analogue and preparation method and application thereof 上海翰森生物医药科技有限公司 2020-12-01 CN disclosed
EP-3436433-B1 DERIVATIVES OF PYRROLE-2,5-DIONES HAVING A FUNGICIDAL ACTIVITY, THEIR AGRONOMICAL COMPOSITIONS AND USE THEREOF. ISAGRO SPA (IT) 2020-01-22 EP disclosed
US-10464893-B2 Derivatives of pyrrole-2,5-diones having a fungicidal activity, their agronomical compositions and use thereof ISAGRO S.P.A (IT) 2019-11-05 US disclosed
US-10441946-B2 Linear alpha-olefin catalysts and preparation and use thereof APALENE TECHNOLOGY CO., LTD. (HANGZHOU) (CN) 2019-10-15 US disclosed
US-20190106388-A1 DERIVATIVES OF PYRROLE-2,5-DIONES HAVING A FUNGICIDAL ACTIVITY, THEIR AGRONOMICAL COMPOSITIONS AND USE THEREOF ISAGRO S.P.A. (IT) 2019-04-11 US disclosed
EP-3436433-A1 DERIVATIVES OF PYRROLE-2,5-DIONES HAVING A FUNGICIDAL ACTIVITY, THEIR AGRONOMICAL COMPOSITIONS AND USE THEREOF. ISAGRO S.p.A. (IT) 2019-02-06 EP disclosed
CN-105797773-B Novel linear alhpa olefin catalyst and its preparation process and purposes 亚培烯科技(杭州)有限公司 2018-11-06 CN disclosed
US-20180147571-A1 NOVEL LINEAR ALPHA-OLEFIN CATALYSTS AND PREPARATION AND USE THEREOF APALENE TECHNOLOGY CO., LTD. (JIAXING) (CN) 2018-05-31 US disclosed
CN-105797774-B Novel linear alhpa olefin catalyst and its preparation and commercial Application 亚培烯科技(嘉兴)有限公司 2018-03-13 CN disclosed
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME LLC 2012-07-19 US disclosed
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-09-22 US disclosed
CN-102186921-A Fluorine-containing copolymer composition and process for production thereof ASAHI GLASS CO LTD 2011-09-14 CN disclosed
WO-2011044187-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2011-04-14 WO disclosed
WO-2011044181-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2011-04-14 WO disclosed
US-4960782-A Triazole antifungal agents PFIZER INC. (US) 1990-10-02 US disclosed
EP-0328669-A1 CHALCONE DERIVATIVE COMPOUNDS NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 EP disclosed
EP-0118245-B1 TRIAZOLE ANTIFUNGAL AGENTS Pfizer Limited (GB) 1987-05-13 EP disclosed
EP-0153803-A2 Triazole antifungal agents Pfizer Limited (GB) 1985-09-04 EP disclosed
EP-0118245-A1 Triazole antifungal agents Pfizer Limited (GB) 1984-09-12 EP 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 (6 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-20190106388-A1 DERIVATIVES OF PYRROLE-2,5-DIONES HAVING A FUNGICIDAL ACTIVITY, THEIR AGRONOMICAL COMPOSITIONS AND USE THEREOF CYP51A1, DDT, DHPS CES2 1227/4885CES1 1394/4885ACKR3 4873/4885
US-20180147571-A1 NOVEL LINEAR ALPHA-OLEFIN CATALYSTS AND PREPARATION AND USE THEREOF UBE2L3, RNF168, AGL CES2 3575/4885CES1 3464/4885ACKR3 53/4885
US-10464893-B2 Derivatives of pyrrole-2,5-diones having a fungicidal activity, their agronomical compositions and use thereof CYP51A1, DDT, DHPS CES2 1227/4885CES1 1394/4885ACKR3 4873/4885
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE BACE1, BACE2, APP CES2 4315/4885CES1 2966/4885ACKR3 4762/4885
US-10441946-B2 Linear alpha-olefin catalysts and preparation and use thereof UBE2L3, COG8, ACSL3 CES2 3635/4885CES1 3277/4885ACKR3 95/4885
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E CES2 1076/4885CES1 269/4885ACKR3 2839/4885

“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.