SCHEMBL21172871

SCHEMBL21172871

Cc1c(I)cc2cccccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 1/20 0.44
▸ CD274 Q9NZQ7 1/20 0.44
▸ ESR2 Q92731 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ HSD11B1 P28845 2/20 0.35
▸ SQOR Q9Y6N5 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ ALDH1A1 P00352 6/20 0.35
▸ HSD17B10 Q99714 2/20 0.34
▸ CYP2A6 P11509 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ BCL2L1 Q07817 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CYP2B6 P20813 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL24729296 0.83 PTGS1 (0.50) PDCD1CD274ESR2BACE1SQOR
SCHEMBL24051152 0.82 PDCD1 (0.53) PDCD1CD274ESR2BACE1SQOR
SCHEMBL26048228 0.78 CD274 (0.42) PDCD1CD274ESR2KMT2AALDH1A1
SCHEMBL597881 0.76 PDCD1 (0.47) PDCD1CD274ESR2BACE1SQOR
SCHEMBL21172870 0.76 CD274 (0.47) PDCD1CD274TSHRALDH1A1HSD17B10
SCHEMBL26048224 0.74 ESR2 (0.47) ESR2BACE1TSHRALDH1A1HPGD
SCHEMBL25785668 0.72 PDCD1 (0.64) PDCD1CD274ESR2BACE1ALDH1A1
Bromide SCHEMBL10999650 0.71 PDCD1 (0.47) PDCD1CD274ESR2BACE1KMT2A
SCHEMBL15593264 0.71 HTR7 (0.41) PDCD1CD274KMT2AMEN1MAPT
SCHEMBL26798848 0.70 PDCD1 (0.50) PDCD1CD274ESR2BACE1KMT2A

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-11716897-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and organic light-emitting apparatus including the organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2023-08-01 — — US disclosed
US-20190221756-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND ORGANIC LIGHT-EMITTING APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-07-18 — — 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-20190221756-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND ORGANIC LIGHT-EMITTING APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE OCIAD1, LEF1, ORC3 PDCD1 282/4885CD274 148/4885ESR2 936/4885
US-11716897-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and organic light-emitting apparatus including the organic light-emitting device OCIAD1, LEF1, ORC3 PDCD1 282/4885CD274 148/4885ESR2 936/4885

“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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