SCHEMBL954112

SCHEMBL954112

CC(C)=CCCC(C)=C[C]=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 3/20 0.54
ALOX15 P16050 3/20 0.52
MEN1 O00255 2/20 0.52
CYP3A4 P08684 2/20 0.52
KDM4E B2RXH2 2/20 0.52
ATM Q13315 1/20 0.52
MAPT P10636 2/20 0.50
POLB P06746 1/20 0.50
UGT1A1 P22309 1/20 0.50
SQLE Q14534 4/20 0.48
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46

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
SCHEMBL954111 1.00 KMT2A (0.56) KMT2AALDH1A1ALOX15MEN1CYP3A4
SCHEMBL530927 0.96 KMT2A (0.64) KMT2AALDH1A1ALOX15MEN1CYP3A4
SCHEMBL7757953 0.96 KMT2A (0.64) KMT2AALDH1A1ALOX15MEN1CYP3A4
SCHEMBL530928 0.96 KMT2A (0.64) KMT2AALDH1A1ALOX15MEN1CYP3A4
SCHEMBL11436605 0.83 BTN3A1 (0.44) KMT2AALDH1A1ALOX15MEN1CYP3A4
SCHEMBL11436601 0.83 BTN3A1 (0.44) KMT2AALDH1A1ALOX15MEN1CYP3A4
Squalene SCHEMBL27987791 0.81 KMT2A (0.85) KMT2AALDH1A1ALOX15MEN1CYP3A4
SCHEMBL8702915 0.78 SQLE (0.43) KMT2AALDH1A1ALOX15MEN1CYP3A4
SCHEMBL8702913 0.78 SQLE (0.43) KMT2AALDH1A1ALOX15MEN1CYP3A4
SCHEMBL1472323 0.77 KMT2A (0.56) KMT2AALDH1A1ALOX15MEN1CYP3A4

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10800790-B2 Sesquiterpenoid STAT3 inhibitors UNIVERSITY OF HAWAII (US) 2020-10-13 US claimed
US-9901565-B2 Membrane fusion inhibitor PROTECTEA, LTD. (JP) 2018-02-27 US disclosed
US-9801850-B2 Antibacterial agent OSAKA UNIVERSITY (JP) 2017-10-31 US disclosed
US-20150111961-A1 MEMBRANE FUSION INHIBITOR PROTECTEA, LTD. (JP) 2015-04-23 US disclosed
EP-2460405-B1 EPIGALLOCATECHIN GALLATE DERIVATIVE AS ANTIBACTERIAL AGENT UNIV OSAKA (JP) 2015-03-18 EP disclosed
US-8952055-B2 Membrane fusion inhibitor PROTECTEA, LTD. (JP) 2015-02-10 US disclosed
EP-2460405-A1 ANTIBACTERIAL AGENT Osaka University (JP) 2012-06-06 EP disclosed
US-20120136049-A1 ANTIBACTERIAL AGENT OSAKA UNIVERSITY (JP) 2012-05-31 US disclosed
US-20110003889-A1 MEMBRANE FUSION INHIBITOR KAIHATSU, Kunihiro (JP) 2011-01-06 US disclosed
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 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 (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-10800790-B2 Sesquiterpenoid STAT3 inhibitors STAT3, JAK2, STAT6 KMT2A 1799/4885ALDH1A1 1903/4885ALOX15 2608/4885
US-20120136049-A1 ANTIBACTERIAL AGENT TEAD4, ELOVL6, TEAD1 KMT2A 1258/4885ALDH1A1 677/4885ALOX15 1055/4885
US-20150111961-A1 MEMBRANE FUSION INHIBITOR FLOT1, NSF, VAMP7 KMT2A 2118/4885ALDH1A1 2332/4885ALOX15 1986/4885
US-20110003889-A1 MEMBRANE FUSION INHIBITOR FLOT1, NSF, VAMP7 KMT2A 2118/4885ALDH1A1 2332/4885ALOX15 1986/4885

“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.