SCHEMBL3780798

SCHEMBL3780798

C#Cc1cccc(-c2cccc3ccccc23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.43
ACMSD Q8TDX5 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL3771238 0.84 CYP11B1 (0.47) ABCG2CA12CA1CA2CA9
SCHEMBL28296374 0.82 MCL1 (0.46) MCL1ACMSDCA12CA1CA2
SCHEMBL15853175 0.82 ADRA2C (0.54) MCL1ACMSDCA1CA2KDM4E
SCHEMBL3778441 0.81 CA12 (0.49) MCL1ACMSDCA12CA1CA2
SCHEMBL3800244 0.81 CYP2A6 (0.41) ABCG2CA12CA1CA2CA9
SCHEMBL29628903 0.80 MCL1 (0.53) MCL1ACMSDCA12CA1CA2
SCHEMBL14036308 0.80 MCL1 (0.53) MCL1ACMSDCA12CA1CA2
SCHEMBL11305092 0.78 CYP2A6 (0.54) CA12CA1CA2CA9TDP1
SCHEMBL10051180 0.77 ADRA2C (0.49) MCL1ACMSDCA12CA1CA2
SCHEMBL16796022 0.77 MCL1 (0.50) MCL1ACMSDCA12CA1CA2

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-20100331585-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2010-12-30 US disclosed
EP-0944314-A1 METHYL SUBSTITUTED FUNGICIDES AND ARTHROPODICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-09-29 EP disclosed
WO-1998023156-A1 METHYL SUBSTITUTED FUNGICIDES AND ARTHROPODICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-06-04 WO disclosed
US-4532270-A Anaerobic adhesive also containing acrylic monomer, free radical polymerization initiator NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1985-07-30 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-20100331585-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT NR2E1, AR, ELP1 MCL1 1895/4885ACMSD 2627/4885ABCG2 2010/4885

“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.