SCHEMBL22743371

SCHEMBL22743371

Cc1ccc(-c2ccccc2)cc1Nc1cc(C(C)(C)C)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B2 P37059 1/20 0.46
▸ TAS2R14 Q9NYV8 1/20 0.46
▸ RXRA P19793 1/20 0.43
▸ RXRB P28702 1/20 0.43
▸ P2RX7 Q99572 2/20 0.41
▸ LMNA P02545 1/20 0.40
▸ KIF11 P52732 3/20 0.40
▸ CAMKK2 Q96RR4 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ HTR6 P50406 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 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
SCHEMBL18762338 0.86 CAMKK2 (0.47) TAS2R14P2RX7CAMKK2HTR6MAPT
SCHEMBL30349982 0.86 CAMKK2 (0.47) TAS2R14P2RX7CAMKK2HTR6MAPT
SCHEMBL22253128 0.84 HSD17B2 (0.41) HSD17B2TAS2R14RXRARXRBP2RX7
SCHEMBL19087611 0.83 TAS2R14 (0.50) TAS2R14P2RX7LMNAPPARGMAPT
SCHEMBL18762339 0.81 MAPK10 (0.50) TAS2R14P2RX7LMNACAMKK2MAPT
SCHEMBL24255017 0.78 TAS2R14 (0.41) TAS2R14P2RX7LMNAPPARGMAPT
SCHEMBL19087403 0.78 RAPGEF4 (0.53) HSD17B2TAS2R14MAPTKMT2AALDH1A1
SCHEMBL28907410 0.78 ALK (0.49) P2RX7CAMKK2MAPTKMT2AMEN1
SCHEMBL1532928 0.76 ALDH1A1 (0.46) HSD17B2RXRARXRBLMNAKIF11
SCHEMBL18762335 0.75 SIRT2 (0.50) P2RX7CAMKK2MAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200377513-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2020-12-03 — — 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-20200377513-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE PIEZO1, TMEM109, LEF1 HSD17B2 2582/4885TAS2R14 1401/4885RXRA 3865/4885

“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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