SCHEMBL21966529

SCHEMBL21966529

Clc1ccc2c(c1)[nH]c1cc(-c3ccc4ccccc4c3)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.52
▸ PTGES O14684 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.45
▸ HPGD P15428 3/20 0.45
▸ LMNA P02545 1/20 0.45
▸ PARP1 P09874 1/20 0.45
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ CA1 P00915 1/20 0.42

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
SCHEMBL30180882 0.86 ALDH1A1 (0.50) CYP2A6ALDH1A1HPGDLMNAPARP1
SCHEMBL21448261 0.86 ALDH1A1 (0.50) CYP2A6ALDH1A1HPGDLMNAPARP1
SCHEMBL21968730 0.84 ALDH1A1 (0.57) ALDH1A1HPGDLMNAPARP1CYP1A2
SCHEMBL20291012 0.84 AHR (0.55) PTGESALDH1A1ESR1ESR2CDK4
SCHEMBL23253445 0.82 TP53 (0.48) CYP2A6ALDH1A1HPGDLMNAPARP1
SCHEMBL26203520 0.81 BCHE (0.45) CYP2A6PTGESALDH1A1HPGDLMNA
SCHEMBL21451721 0.79 PARP1 (0.50) CYP2A6ALDH1A1HPGDLMNAPARP1
SCHEMBL19428980 0.78 CYP2A6 (0.77) CYP2A6ALDH1A1LMNACYP1A2KDM4E
SCHEMBL6009587 0.78 PARP1 (0.65) ALDH1A1HPGDLMNAPARP1CYP2C9
SCHEMBL31167250 0.78 PARP1 (0.65) ALDH1A1HPGDLMNAPARP1CYP2C9

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-20210184128-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-06-17 — — US disclosed
US-20200144508-A1 ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2020-05-07 — — 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-20200144508-A1 ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE OCIAD1, OCIAD2, OR10J3 CYP2A6 940/4885PTGES 3211/4885ALDH1A1 49/4885
US-20210184128-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE OR10J3, OCIAD1, OXER1 CYP2A6 419/4885PTGES 827/4885ALDH1A1 46/4885

“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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