SCHEMBL18553595

SCHEMBL18553595

Clc1nc(-c2ccc(-c3ccc4ccccc4c3)cc2)c2c3ccccc3c3ccccc3c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.40
▸ ESR2 Q92731 3/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ HTR2B P41595 1/20 0.37
▸ HTR5A P47898 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ 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 0.36
▸ MAPK9 P45984 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 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
SCHEMBL18132507 0.94 HTR2B (0.39) ESR1ESR2ALDH1A1KDM4EHTR2B
SCHEMBL19383209 0.88 MAPT (0.35) ESR1ESR2ALDH1A1KDM4EHTR2B
SCHEMBL18132486 0.86 KDM4E (0.50) ALDH1A1KDM4ELMNAHPGDGLA
SCHEMBL18132505 0.83 KDM4E (0.53) ALDH1A1KDM4ELMNAHPGDGLA
SCHEMBL18132502 0.82 ALDH1A1 (0.42) ESR1ESR2ALDH1A1KDM4ELMNA
SCHEMBL17915352 0.82 ESR1 (0.44) ESR1ESR2ALDH1A1HTR2BHTR5A
SCHEMBL17297482 0.79 ESR1 (0.36) ESR1ESR2ALDH1A1KDM4EHTR2B
SCHEMBL12683317 0.78 KDM4E (0.65) ESR1ESR2ALDH1A1KDM4EHTR2B
SCHEMBL30716818 0.78 KDM4E (0.65) ESR1ESR2ALDH1A1KDM4EHTR2B
SCHEMBL17305855 0.76 CYP1A2 (0.43) ESR1ESR2ALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11299459-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2022-04-12 — — US disclosed
US-10934308-B2 Compound for organic electronic element, organic electronic element using same, and electronic device comprising same DUK SAN NEOLUX CO., LTD. (KR) 2021-03-02 — — US disclosed
WO-2017048025-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2017-03-23 — — WO disclosed
WO-2017030307-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC APPARATUS COMPRISING SAME 덕산네오룩스 주식회사 2017-02-23 — — WO 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-11299459-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof PIEZO1, OCIAD1, TMEM109 ESR1 62/4885ESR2 223/4885ALDH1A1 540/4885
US-10934308-B2 Compound for organic electronic element, organic electronic element using same, and electronic device comprising same OR51E2, NFE2L2, ETV6 ESR1 5/4885ESR2 47/4885ALDH1A1 814/4885

“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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