SCHEMBL682837

SCHEMBL682837

COc1ccc(C(c2ccccc2)C(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.58
PBRM1 Q86U86 1/20 0.57
LTA4H P09960 2/20 0.56
ACP3 P15309 3/20 0.55
ALDH1A1 P00352 3/20 0.55
PKM P14618 1/20 0.51
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
KMT2A Q03164 2/20 0.45
MITF O75030 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
GPR88 Q9GZN0 1/20 0.45
TRPA1 O75762 1/20 0.45
NR3C1 P04150 1/20 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
SCHEMBL13164290 1.00 CA4 (0.58) CA4PBRM1LTA4HACP3ALDH1A1
SCHEMBL2601110 0.91 CA1 (0.55) CA4PBRM1LTA4HALDH1A1CA12
SCHEMBL8429413 0.89 PBRM1 (0.62) CA4PBRM1LTA4HACP3ALDH1A1
SCHEMBL5941221 0.89 PBRM1 (0.62) CA4PBRM1LTA4HACP3ALDH1A1
SCHEMBL8323074 0.84 PBRM1 (0.54) CA4PBRM1LTA4HACP3ALDH1A1
SCHEMBL15617631 0.84 ACP3 (0.56) CA4PBRM1LTA4HACP3ALDH1A1
SCHEMBL10442181 0.83 ACHE (0.62) CA4PBRM1ALDH1A1CA12CA1
SCHEMBL15849969 0.83 ALDH1A1 (0.58) CA4PBRM1LTA4HACP3ALDH1A1
SCHEMBL156425 0.83 ALDH1A1 (0.58) CA4PBRM1LTA4HACP3ALDH1A1
SCHEMBL15586 0.82 TAAR1 (0.48) ALDH1A1LMNA

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-20230212222-A1 COMPOSITION FOR ANTI-DIABETES AND ANTI-OBESITY COMPRISING NOVEL COMPOUND ANYGEN CO., LTD. (KR) 2023-07-06 US disclosed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-20100022637-A1 IDENTIFICATION OF ANTI-CANCER COMPOUNDS AND COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE AND METHODS OF TREATMENT THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2010-01-28 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 (3 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-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF CA4 1416/4885PBRM1 4665/4885LTA4H 688/4885
US-20100022637-A1 IDENTIFICATION OF ANTI-CANCER COMPOUNDS AND COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE AND METHODS OF TREATMENT THEREOF HTT, ATXN2, HDAC6 CA4 4560/4885PBRM1 3815/4885LTA4H 2223/4885
US-20230212222-A1 COMPOSITION FOR ANTI-DIABETES AND ANTI-OBESITY COMPRISING NOVEL COMPOUND GPR119, GPR39, FABP4 CA4 2161/4885PBRM1 4565/4885LTA4H 1482/4885

“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.