SCHEMBL8675939

SCHEMBL8675939

C=COC(C)CCC(CC)CCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 6/20 0.39
CA2 P00918 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.31
BCL2L1 Q07817 3/20 0.30
BAK1 Q16611 3/20 0.30
USP2 O75604 2/20 0.30
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
APAF1 O14727 1/20 0.30
PLA2G1B P04054 1/20 0.30

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
SCHEMBL1898549 0.84
Fluoride SCHEMBL27504066 0.82 TSHR (0.34) TSHRALDH1A1SMN1; SMN2OPRM1
SCHEMBL25270659 0.81 CYP3A4 (0.44) TSHRALDH1A1TDP1CYP3A4CA2
SCHEMBL942299 0.76 FAAH (0.40) TSHRALDH1A1OPRM1
SCHEMBL27781459 0.76 FAAH (0.40) TSHRALDH1A1OPRM1
SCHEMBL4210767 0.76 FAAH (0.40) TSHRALDH1A1OPRM1
SCHEMBL8418571 0.76 FAAH (0.40) TSHRALDH1A1OPRM1
SCHEMBL19113967 0.75
SCHEMBL4604387 0.75
SCHEMBL6854262 0.75 TSHR (0.60) TSHRALDH1A1TDP1CYP3A4CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2816065-B1 METHOD FOR PRODUCING HOMOPOLYMER OR RANDOM COPOLYMER OF HYDROXYL GROUP-CONTAINING VINYL ETHER MARUZEN PETROCHEM CO LTD (JP) 2018-01-31 EP disclosed
US-9777085-B2 Method for producing homopolymer or random copolymer of hydroxyl group-containing vinyl ether MARUZEN PETROCHEMICAL CO., LTD. (JP) 2017-10-03 US disclosed
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2015-01-08 US disclosed
US-20150005467-A1 METHOD FOR PRODUCING HOMOPOLYMER OR RANDOM COPOLYMER OF HYDROXYL GROUP-CONTAINING VINYL ETHER MARUZEN PETROCHEMICAL CO., LTD. (JP) 2015-01-01 US disclosed
EP-2816065-A1 METHOD FOR PRODUCING HOMOPOLYMER OR RANDOM COPOLYMER OF HYDROXYL GROUP-CONTAINING VINYL ETHER Maruzen Petrochemical Co., Ltd. (JP) 2014-12-24 EP disclosed
US-5770655-A ACRYLATE MONOMER WITH MULTICYCLIC FUSED RING IN ESTER GROUP, OPTICAL FIBERS AND DISKS, CLARITY AND IMPACT STRENGTH, TETRACYCLODODECYL ACRYLATE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1998-06-23 US disclosed
EP-0671433-B1 Polymer composition and core-shell elastomer used therefor MITSUI CHEMICALS INC (JP) 1998-06-17 EP disclosed
US-5574100-A ALPHA-OLEFIN-CYCLIC OLEFIN COPOLYMER, BUTADIENE-STYRENE COPOLYMER CORE, ALICYCLIC ACRYLATE SHELL MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1996-11-12 US disclosed
EP-0671433-A1 Polymer composition and core-shell elastomer used therefor MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-09-13 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 (1 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-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 TSHR 1013/4885ALDH1A1 2738/4885TDP1 915/4885

“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.