SCHEMBL18859620

SCHEMBL18859620

c1ccc2cc(-c3ccc(-c4ccc(-c5nc6sc7ccccc7c6c6ccccc56)cc4)cc3)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ ELANE P08246 1/20 0.38
▸ HTR2B P41595 1/20 0.36
▸ HTR5A P47898 1/20 0.36
▸ CYP17A1 P05093 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ MAPK8 P45983 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ ADORA2A P29274 3/20 0.35
▸ ADORA1 P30542 3/20 0.35

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
SCHEMBL18859626 0.92 NQO2 (0.38) ESR1ESR2ELANEMAPK8MAPK9
SCHEMBL18859614 0.92 HSD17B1 (0.39) ESR1ESR2ELANEHTR2BHTR5A
SCHEMBL18859601 0.91 ELANE (0.36) ESR1ESR2ELANEHTR2BHTR5A
SCHEMBL18859678 0.87 ELANE (0.36) ELANESMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL18859625 0.86 GPR3 (0.39) ELANECYP1A2SMN1; SMN2ALDH1A1HPGD
SCHEMBL24281767 0.85 MEN1 (0.38) ESR1ESR2ELANECYP1A2SMN1; SMN2
SCHEMBL17297482 0.85 ESR1 (0.36) ESR1ESR2ELANEHTR2BHTR5A
SCHEMBL18803208 0.84 ELANE (0.40) ELANECYP1A2SMN1; SMN2ADORA2AALDH1A1
SCHEMBL22273878 0.83 MEN1 (0.36) ELANESMN1; SMN2ADORA2AADORA1ALDH1A1
SCHEMBL18859780 0.81 MAPT (0.38) ELANECYP1A2SMN1; SMN2ADORA2AADORA1

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 ESR1 155/4885ESR2 830/4885ELANE 4401/4885
US-10644244-B2 Heterocyclic compound and organic light emitting device using same CRY1, CRY2, CYBA ESR1 155/4885ESR2 830/4885ELANE 4401/4885

“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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