SCHEMBL3088917

SCHEMBL3088917

CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.92
ATM Q13315 1/20 0.92
KMT2A Q03164 3/20 0.64
KDM1A O60341 1/20 0.64
POLB P06746 1/20 0.62
FNTA P49354 10/20 0.61
FNTB P49356 10/20 0.61
MAPT P10636 3/20 0.57
MEN1 O00255 2/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP3A4 P08684 1/20 0.57
ALOX15 P16050 1/20 0.57
UGT1A1 P22309 1/20 0.57
TRPA1 O75762 1/20 0.56
SQLE Q14534 1/20 0.55

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
SCHEMBL9475040 1.00 KDM4E (0.92) KDM4EATMKMT2AKDM1APOLB
SCHEMBL7943006 1.00 KDM4E (0.92) KDM4EATMKMT2AKDM1APOLB
SCHEMBL3088919 1.00 KDM4E (0.92) KDM4EATMKMT2AKDM1APOLB
SCHEMBL10748886 1.00 KDM4E (0.92) KDM4EATMKMT2AKDM1APOLB
SCHEMBL10566443 1.00 KDM4E (0.92) KDM4EATMKMT2AKDM1APOLB
Geranylgeranoic Acid SCHEMBL10781543 1.00 KDM4E (0.92) KDM4EATMKMT2AKDM1APOLB
Geranylgeranoic Acid SCHEMBL10405196 1.00 KDM4E (0.92) KDM4EATMKMT2AKDM1APOLB
SCHEMBL1470207 1.00 KDM4E (0.92) KDM4EATMKMT2AKDM1APOLB
SCHEMBL9366045 1.00 KDM4E (0.92) KDM4EATMKMT2AKDM1APOLB
SCHEMBL7943004 1.00 KDM4E (0.92) KDM4EATMKMT2AKDM1APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629268-B2 Cyclisation process of forming a multiple ring compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-01-14 US disclosed
US-20130046090-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2013-02-21 US disclosed
US-8227645-B2 Cyclisation process of forming a multiple ring compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-07-24 US disclosed
US-20100228058-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-09-09 US disclosed
US-4762829-A ANTICOAGULANTS EISAI CO., LTD. (JP) 1988-08-09 US disclosed
US-4742058-A AMIDES, ANTICOAGULANTS EISAI CO., LTD. (JP) 1988-05-03 US 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 (2 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-20100228058-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND DHPS, GGPS1, COASY KDM4E 2747/4885ATM 1393/4885KMT2A 2281/4885
US-20130046090-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND COASY, AKR1C4, AKR1C2 KDM4E 3322/4885ATM 808/4885KMT2A 1729/4885

“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.