SCHEMBL18859614

SCHEMBL18859614

c1cc(-c2ccc3ccccc3c2)cc(-c2nc3sc4ccccc4c3c3ccccc23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 2/20 0.39
▸ HSD17B2 P37059 2/20 0.39
▸ CYP17A1 P05093 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ ELANE P08246 1/20 0.36
▸ ADORA2A P29274 2/20 0.36
▸ ADORA1 P30542 2/20 0.36
▸ HTR2B P41595 1/20 0.35
▸ HTR5A P47898 1/20 0.35
▸ S1PR4 O95977 3/20 0.34
▸ S1PR5 Q9H228 3/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ MAPK9 P45984 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL18859620 0.92 ESR1 (0.39) HSD17B1HSD17B2CYP17A1CYP19A1CYP11B1
SCHEMBL18859604 0.88 ELANE (0.34) HSD17B1HSD17B2ELANEADORA2ASMN1; SMN2
SCHEMBL18859681 0.87 GPR3 (0.37) HSD17B1HSD17B2ELANECYP1A2SMN1; SMN2
SCHEMBL18859601 0.86 ELANE (0.36) ELANEADORA2AADORA1HTR2BHTR5A
SCHEMBL24280183 0.85 MEN1 (0.33) HSD17B1HSD17B2ELANEADORA2AADORA1
SCHEMBL18370739 0.85 ADORA2A (0.36) HSD17B1HSD17B2CYP17A1CYP19A1CYP11B1
SCHEMBL18370740 0.85 ADORA2A (0.36) HSD17B1HSD17B2CYP17A1CYP19A1CYP11B1
SCHEMBL18859611 0.84 F9 (0.37) ELANES1PR4S1PR5SMN1; SMN2ALOX5
SCHEMBL18859626 0.84 NQO2 (0.38) HSD17B1HSD17B2ELANEESR1ESR2
SCHEMBL18370735 0.84 ADORA2A (0.36) HSD17B1HSD17B2CYP17A1CYP19A1CYP11B1

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-10644244-B2 Heterocyclic compound and organic light emitting device using same LT MATERIALS CO., LTD. (KR) 2020-05-05 — — US disclosed
US-20170141325-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2017-05-18 — — US disclosed
US-20170141325-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2017-05-18 — — 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-20170141325-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, CRY2, CYBA HSD17B1 1731/4885HSD17B2 943/4885CYP17A1 1732/4885
US-10644244-B2 Heterocyclic compound and organic light emitting device using same CRY1, CRY2, CYBA HSD17B1 1731/4885HSD17B2 943/4885CYP17A1 1732/4885

“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.

Send feedback