SCHEMBL4350772

SCHEMBL4350772

Cc1ccc2c(c1)C(=O)CC1(CCCC1)O2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 1.00
ATM Q13315 5/20 0.97
HTT P42858 1/20 0.97
RAD52 P43351 1/20 0.56
ALDH1A1 P00352 3/20 0.55
HPGD P15428 3/20 0.55
ACACB O00763 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
ACACA Q13085 1/20 0.50
KMT2A Q03164 1/20 0.49
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HDAC3 O15379 3/20 0.45
HDAC4 P56524 3/20 0.45
HDAC1 Q13547 3/20 0.45

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
SCHEMBL618205 0.97 KDM4E (0.94) KDM4EATMHTTRAD52ALDH1A1
SCHEMBL4257856 0.87 KDM4E (0.76) KDM4EATMHTTRAD52ALDH1A1
Hydrochloric Acid SCHEMBL3491946 0.85 KDM4E (0.74) KDM4EATMHTTRAD52ALDH1A1
SCHEMBL617406 0.84 KDM4E (0.73) KDM4EATMHTTRAD52ALDH1A1
SCHEMBL1829468 0.81 KDM4E (0.68) KDM4EATMHTTALDH1A1HPGD
SCHEMBL7957289 0.81 KDM4E (0.68) KDM4EATMHTTALDH1A1HPGD
SCHEMBL6561130 0.81 KDM4E (0.68) KDM4EATMHTTALDH1A1HPGD
SCHEMBL11111608 0.81 KDM4E (0.68) KDM4EATMHTTALDH1A1HPGD
SCHEMBL4348597 0.81 KDM4E (0.68) KDM4EATMHTTALDH1A1HPGD
SCHEMBL6560495 0.80 KDM4E (0.69) KDM4EATMHTTALDH1A1HPGD

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-8598220-B2 Antagonists of the vanilloid receptor subtype 1 (VR1) and uses thereof ABBVIE INC. (US) 2013-12-03 US disclosed
US-7622493-B2 Antagonists of the vanilloid receptor subtype 1 (VR1) and uses thereof ABBOTT LABORATORIES (US) 2009-11-24 US disclosed
US-20090233953-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LABORATORIES (US) 2009-09-17 US disclosed
EP-2012778-A2 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF Abbott Laboratories (US) 2009-01-14 EP disclosed
US-20070249614-A1 Antagonists of the Vanilloid Receptor Subtype 1 (VR1) and Uses Thereof ABBVIE INC. 2007-10-25 US disclosed
WO-2007121299-A2 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LABORATORIES (US) 2007-10-25 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 (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-20090233953-A1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF OPRL1, AVPR1A, TRPV1 KDM4E 3574/4885ATM 4479/4885HTT 4358/4885
US-20070249614-A1 Antagonists of the Vanilloid Receptor Subtype 1 (VR1) and Uses Thereof OPRL1, AVPR1A, AVPR1B KDM4E 3498/4885ATM 4428/4885HTT 4309/4885

“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.