SCHEMBL6860561

SCHEMBL6860561

COC(=O)CC1CN(c2ccccc2)c2cc(C(=O)O)ccc2O1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASR P41180 8/20 0.47
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.39
GRM2 Q14416 2/20 0.38
RORC P51449 3/20 0.38
OPRM1 P35372 1/20 0.38
KCNH2 Q12809 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL7708679 1.00 CASR (0.47) CASRNPC1TSHRGRM2RORC
SCHEMBL7711555 0.88 TSHR (0.39) CASRNPC1TSHRGRM2RORC
SCHEMBL7708641 0.83 ALDH1A1 (0.43) POLBGAA
SCHEMBL7711502 0.79 ITGB3 (0.41) KCNH2
SCHEMBL7705256 0.75 GRM2 (0.39) NPC1TSHRGRM2OPRM1KCNH2
SCHEMBL7708663 0.74 POLB (0.46) CASRTSHRPOLBGAA
SCHEMBL7711755 0.74 GAA (0.39) NPC1TSHRRORCGAA
Hydrochloric Acid SCHEMBL6854351 0.73 GRM2 (0.39) CASRGRM2RORCSIGMAR1
SCHEMBL7705262 0.72 TSHR (0.47) TSHR
SCHEMBL6860836 0.70 FFAR4 (0.42) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US disclosed
US-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US disclosed
US-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US disclosed
US-20030069236-A1 New benzoxazine derivatives useful as integrin receptor antagonists PHARMACIA & UPJOHN S.P.A. (IT) 2003-04-10 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 (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-20030069236-A1 New benzoxazine derivatives useful as integrin receptor antagonists ITGB1, ITGA1, ITGB3 CASR 602/4885NPC1 2263/4885TSHR 1161/4885

“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.