SCHEMBL18103872

SCHEMBL18103872

COOc1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccccc3-c3ccccc3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACA Q13085 2/20 0.39
▸ MAPT P10636 3/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP11B1 P15538 2/20 0.37
▸ CYP11B2 P19099 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2B6 P20813 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ GPR84 Q9NQS5 2/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ BCR P11274 1/20 0.36
▸ KDM4E B2RXH2 2/20 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
SCHEMBL12253343 0.90 CYP1A2 (0.47) ACACAMAPTCYP1A2CYP11B1CYP11B2
SCHEMBL18103880 0.84 ERBB2 (0.35) ACACAMAPTCYP1A2LMNACYP2C9
SCHEMBL26756017 0.84 HDAC4 (0.45) MAPTCYP1A2CYP11B1CYP11B2CYP2C9
SCHEMBL12128597 0.84 GSTP1 (0.41) ACACACYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL15366633 0.81 ESR1 (0.43) MAPTCYP1A2CYP11B1CYP11B2CYP2C9
SCHEMBL18103855 0.80 PPARG (0.36) ACACAMAPTCYP1A2CYP11B1CYP11B2
SCHEMBL24688963 0.78 HDAC4 (0.49) CYP1A2CYP11B1CYP11B2CYP2C9CYP2C19
SCHEMBL22978420 0.77 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL14363721 0.77 CYP1A2 (0.44) ACACAMAPTCYP1A2CYP11B1CYP11B2
SCHEMBL27267431 0.76 GSTP1 (0.50) MAPTCYP1A2CYP11B1CYP11B2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10297765-B2 Aromatic amine derivative and organic electroluminescent device using the same IDEMITSU KOSAN CO., LTD. (JP) 2019-05-21 — — US disclosed
US-20160285012-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-09-29 — — 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 (2 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-20160285012-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME DDT, TYR, DDC ACACA 2655/4885MAPT 351/4885CYP1A2 507/4885
US-10297765-B2 Aromatic amine derivative and organic electroluminescent device using the same DDT, TYR, DDC ACACA 2655/4885MAPT 351/4885CYP1A2 507/4885

“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.

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