SCHEMBL22037131

SCHEMBL22037131

BC(B)(c1cnc(-c2ccccc2C)cc1C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 12/20 0.40
▸ CYP2C19 P33261 9/20 0.40
▸ CYP2D6 P10635 7/20 0.40
▸ CLK4 Q9HAZ1 7/20 0.40
▸ CYP3A4 P08684 6/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPK1 P28482 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ METAP2 P50579 2/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ APAF1 O14727 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TDP2 O95551 1/20 0.37

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
SCHEMBL26050172 0.84 LDHA (0.48) CYP3A4ALDH1A1IDO1MAPTKDM4E
SCHEMBL23255785 0.80 CYP1A2 (0.45) CYP1A2CYP2C19CYP2D6CLK4CYP3A4
SCHEMBL24092079 0.78 IDO1 (0.38) CYP1A2CYP2C19CYP2D6CLK4CYP3A4
SCHEMBL24913293 0.77 CYP1A2 (0.43) CYP1A2CYP2C19CYP2D6CLK4CYP3A4
SCHEMBL25968127 0.77 CYP1A2 (0.43) CYP1A2CYP2C19CYP2D6CLK4CYP3A4
SCHEMBL20272725 0.77 TGFBR1 (0.40) CYP1A2CYP2C19CYP2D6CLK4CYP3A4
SCHEMBL24160881 0.75 CYP1A2 (0.41) CYP1A2CYP2C19CYP2D6CLK4CYP3A4
SCHEMBL22080322 0.75 CYP1A2 (0.41) CYP1A2CYP2C19CYP2D6CLK4CYP3A4
SCHEMBL23879670 0.74 CYP1A2 (0.46) CYP1A2CYP2C19CYP2D6CLK4CYP3A4
SCHEMBL16716059 0.73 CYP1A2 (0.51) CYP1A2CYP2C19CYP2D6CLK4CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230309396-A1 Host Materials for Electroluminscent Devices UNIVERSAL DISPLAY CORPORATION 2023-09-28 — — US disclosed
US-11706980-B2 Host materials for electroluminescent devices UNIVERSAL DISPLAY CORPORATION (US) 2023-07-18 — — US disclosed
US-20200168811-A1 HOST MATERIALS FOR ELECTROLUMINESCENT DEVICES UNIVERSAL DISPLAY CORPORATION 2020-05-28 — — 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-11706980-B2 Host materials for electroluminescent devices CRHR1, CRHR2, CRH CYP1A2 2075/4885CYP2C19 1302/4885CYP2D6 2172/4885
US-20230309396-A1 Host Materials for Electroluminscent Devices CRHR1, CRHR2, CRH CYP1A2 2207/4885CYP2C19 1337/4885CYP2D6 2326/4885
US-20200168811-A1 HOST MATERIALS FOR ELECTROLUMINESCENT DEVICES CRHR1, CRHR2, CRH CYP1A2 2075/4885CYP2C19 1302/4885CYP2D6 2172/4885

“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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