SCHEMBL2680573

SCHEMBL2680573

COc1ccc(C(C)c2ccc(C)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.68
RELA Q04206 1/20 0.54
ALDH1A1 P00352 4/20 0.50
MAPT P10636 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CYP19A1 P11511 1/20 0.50
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC2A1 P11166 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL834546 0.91 CA1 (0.61) ACHEALDH1A1MAPTCA1CA2
Ammonia Solution, Strong SCHEMBL7995827 0.88 CA1 (0.58) ACHEALDH1A1MAPTCA1CA2
SCHEMBL14823817 0.84 TEAD4 (0.54) ACHEALDH1A1MAPTTSHRTDP1
SCHEMBL16865571 0.84 ACHE (0.71) ACHERELAALDH1A1MAPTCA1
SCHEMBL15232928 0.84 CA1 (0.52) ACHEALDH1A1CA1CA2CA12
SCHEMBL6347435 0.84 ACHE (0.71) ACHERELAALDH1A1MAPTCA1
SCHEMBL12881506 0.84 ACHE (0.71) ACHERELAALDH1A1MAPTCA1
SCHEMBL13317344 0.84 ACHE (0.71) ACHERELAALDH1A1MAPTCA1
SCHEMBL16865572 0.84 ACHE (0.71) ACHERELAALDH1A1MAPTCA1
SCHEMBL10442181 0.83 ACHE (0.62) ACHERELAALDH1A1MAPTCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110437230-A A kind of three-level aminated compounds and biphosphine ligand, wherein mesosome and preparation method SHANGHAI INST ORGANIC CHEMISTRY CAS 2019-11-12 CN disclosed
US-8088346-B2 Alkene hydrofunctionalization reactions UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-01-03 US disclosed
US-8088346-B2 Alkene hydrofunctionalization reactions UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-01-03 US disclosed
US-20090069580-A1 Alkene Hydrofunctionalization Reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-12 US disclosed
US-20090069580-A1 Alkene Hydrofunctionalization Reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-12 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-20090069580-A1 Alkene Hydrofunctionalization Reactions ADH1A, ADH1C, ADH5 ACHE 2281/4885RELA 1234/4885ALDH1A1 28/4885

“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.