SCHEMBL17367238

SCHEMBL17367238

OC(c1ccccc1)(c1ccccc1)c1ccccc1-c1cc2ccccc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.44
▸ HSD17B1 P14061 1/20 0.43
▸ HSD17B2 P37059 1/20 0.43
▸ BCL2L1 Q07817 1/20 0.42
▸ ERN1 O75460 2/20 0.40
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ CA1 P00915 3/20 0.36
▸ CA9 Q16790 3/20 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
SCHEMBL17367220 0.81 APP (0.46) APPHSD17B1HSD17B2BCL2L1ERN1
SCHEMBL17010934 0.77 HPGD (0.46) APPHSD17B1HSD17B2HDAC6CYP1A2
SCHEMBL19133572 0.76 APP (0.57) APPHSD17B1HSD17B2BCL2L1ERN1
SCHEMBL17301052 0.76 CYP19A1 (0.36) CYP2D6HPGDESR1ESR2CRHBP
SCHEMBL12854022 0.74 APP (0.55) APPHSD17B1HSD17B2BCL2L1ERN1
SCHEMBL1758324 0.74 CRHBP (0.48) CYP1A2CYP2D6CYP2C9HPGDCYP2C19
SCHEMBL17301051 0.72 AHR (0.40) APPHPGDHSD17B10
SCHEMBL27989389 0.72 APP (0.57) APPHSD17B1HSD17B2BCL2L1ERN1
SCHEMBL7503046 0.72 APP (0.58) APPHSD17B1HSD17B2BCL2L1ERN1
SCHEMBL22363255 0.72 APP (0.53) APPHSD17B1HSD17B2BCL2L1ERN1

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-10749118-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-08-18 — — US disclosed
US-20150380663-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-12-31 — — US disclosed
US-20150380663-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-12-31 — — 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-20150380663-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CYP1A1, CRY1, CYP1B1 APP 646/4885HSD17B1 727/4885HSD17B2 1085/4885
US-10749118-B2 Heterocyclic compound and organic light-emitting device including the same CYP1A1, CRY1, CYP1B1 APP 646/4885HSD17B1 727/4885HSD17B2 1085/4885

“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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