SCHEMBL4452613

SCHEMBL4452613

Cc1ccc(-c2nc(CCO)c(C)o2)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PPARA Q07869 9/20 0.43
KDM1A O60341 2/20 0.42
PPARG P37231 7/20 0.40
KDM4E B2RXH2 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
POLB P06746 1/20 0.38
PTPN1 P18031 1/20 0.38
KDR P35968 1/20 0.37
PPARD Q03181 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL1981068 0.82 PPARG (0.54) NPC1RAB9APPARAKDM1APPARG
SCHEMBL3530493 0.82 RAB9A (0.53) NPC1RAB9APPARAKDM1APPARG
SCHEMBL4461142 0.81 KDM4E (0.64) NPC1RAB9APPARAPPARGKDM4E
SCHEMBL3532628 0.81 KDM1A (0.57) NPC1RAB9APPARAKDM1APPARG
SCHEMBL4888438 0.81 PPARG (0.57) NPC1RAB9APPARAKDM1APPARG
SCHEMBL820945 0.79 SMN1; SMN2 (0.51) NPC1RAB9APPARAPPARGKDM4E
SCHEMBL4885518 0.79 ALDH1A1 (0.49) NPC1RAB9APPARAKDM1APPARG
SCHEMBL13958893 0.78 KDM4E (0.47) NPC1RAB9APPARGKDM4EPOLB
SCHEMBL1436917 0.77 PPARA (0.54) PPARAKDM1APPARGKDM4EPOLB
SCHEMBL1436051 0.77 PPARA (0.51) NPC1RAB9APPARAPPARGKDM4E

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-7476742-B2 Indane acetic acid derivatives and their use as pharmaceutical agents BAYER PHARMACEUTICALS CORPORATION (US) 2009-01-13 US disclosed
US-7476742-B2 Indane acetic acid derivatives and their use as pharmaceutical agents BAYER PHARMACEUTICALS CORPORATION (US) 2009-01-13 US disclosed
US-7476742-B2 Indane acetic acid derivatives and their use as pharmaceutical agents BAYER PHARMACEUTICALS CORPORATION (US) 2009-01-13 US disclosed
US-20050107392-A1 Indane acetic acid derivatives and their use as pharmaceutical agents BAYER PHARMACEUTICALS CORPORATION (US) 2005-05-19 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-20050107392-A1 Indane acetic acid derivatives and their use as pharmaceutical agents GPR119, INSR, IRS1 NPC1 320/4885RAB9A 3286/4885PPARA 156/4885

“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.