SCHEMBL22857656

SCHEMBL22857656

Cc1c(I)cccc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.46
▸ GABRA1 P14867 1/20 0.45
▸ GABRB2 P47870 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ KIF11 P52732 1/20 0.34
▸ ALOX12 P18054 1/20 0.33
▸ TRPA1 O75762 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ TYR P14679 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5061063 0.82 CA2 (0.57) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL11520507 0.81 GABRA1 (0.31) CA2GABRA1GABRB2TRPA1ATM
SCHEMBL2276181 0.79 TAS2R14 (0.40) ALDH1A1TDP1KIF11POLBSMN1; SMN2
SCHEMBL21691222 0.78 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL29720793 0.77 ALDH1A1 (0.50) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL2876002 0.77 ALDH1A1 (0.50) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL29688753 0.76 CA2 (0.46) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL1285882 0.76 CA2 (0.46) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL3838615 0.76 — —
SCHEMBL6244219 0.76 MPL (0.31) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210002311-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2021-01-07 — — 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 (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-20210002311-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OTC CA2 4691/4885GABRA1 4384/4885GABRB2 4127/4885

“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.

Send feedback