SCHEMBL26606376

SCHEMBL26606376

CO/C=C/c1c(-c2cc(Br)cc(C(F)(F)F)c2)ccnc1Cl

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ RORB Q92753 3/20 0.34
▸ RORC P51449 2/20 0.34
▸ NOTUM Q6P988 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ GPBAR1 Q8TDU6 5/20 0.32

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
SCHEMBL21870515 0.84 TOP2A (0.42) RORBRORCSCN9A
SCHEMBL23557316 0.83 TOP2A (0.38) S1PR1S1PR3
SCHEMBL26606380 0.83 S1PR1 (0.40) S1PR1S1PR3RORBRORCNOTUM
SCHEMBL22167050 0.78 S1PR1 (0.38) S1PR1NOTUM
SCHEMBL22167064 0.78 CCNT1 (0.32) SCN9A
SCHEMBL22167066 0.76 RPS6KA3 (0.31) —
SCHEMBL25848923 0.75 DYRK1A (0.32) —
SCHEMBL15856975 0.73 IKBKB (0.36) —
SCHEMBL28616202 0.73 KDM4E (0.38) —
SCHEMBL25669673 0.73 KDM4E (0.38) —

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-11800788-B2 Organometallic compound and organic light-emitting device including i he same SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-10-24 — — US disclosed
US-11800788-B2 Organometallic compound and organic light-emitting device including i he same SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-10-24 — — 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 (1 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-11800788-B2 Organometallic compound and organic light-emitting device including i he same UBE2L3, CRY1, OR10J3 S1PR1 4405/4885S1PR3 4291/4885RORB 1541/4885

“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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