SCHEMBL19110439

SCHEMBL19110439

Brc1ccc2sc3c4cc5sc6ccccc6c5cc4ccc3c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GPR3 P46089 1/20 0.40
▸ EPM2A O95278 1/20 0.38
▸ PTPN2 P17706 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ PTPN22 Q9Y2R2 1/20 0.38
▸ EGFR P00533 1/20 0.36
▸ RXFP1 Q9HBX9 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ POLB P06746 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ IDO1 P14902 1/20 0.33

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
SCHEMBL18665991 0.88 GPR3 (0.43) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL13562021 0.87 CYP2A6 (0.44) ALDH1A1EPM2APTPN2PTPN1PTPN22
SCHEMBL18553276 0.85 CYP2A6 (0.44) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL17383062 0.83 CYP2A6 (0.42) MAPTALDH1A1HPGDSMN1; SMN2EPM2A
SCHEMBL13562200 0.83 CYP2A6 (0.42) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL30960396 0.83 CYP2A6 (0.42) MAPTALDH1A1HPGDSMN1; SMN2EPM2A
SCHEMBL18666097 0.83 MAPT (0.50) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL12269172 0.83 GPR3 (0.52) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL29536667 0.81 GPR3 (0.61) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL26685 0.81 GPR3 (0.61) MAPTALDH1A1RAB9AHPGDSMN1; SMN2

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-20170200905-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-13 — — US disclosed
US-20170200905-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-13 — — 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-20170200905-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNA1 MAPT 1538/4885ALDH1A1 237/4885RAB9A 2943/4885

“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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