SCHEMBL25444316

SCHEMBL25444316

CCCCc1ccc(CCc2cc3cc4sc5cc6c(cc5c4cc3s2)sc2cc3cc(CCc4ccc(CCCC)cc4)sc3cc26)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.36
▸ CA1 P00915 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ SKP2 Q13309 1/20 0.34
▸ GPR84 Q9NQS5 1/20 0.34
▸ ESR1 P03372 2/20 0.33
▸ ADRA2A P08913 2/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ TACR2 P21452 2/20 0.33
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ SLC6A3 Q01959 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SHBG P04278 1/20 0.33
▸ TP53 P04637 1/20 0.33

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
SCHEMBL25444313 0.92 CA2 (0.34) CA2CA1ALDH1A1HSD17B10HPGD
SCHEMBL25444242 0.89 CA2 (0.39) CA2CA1ALDH1A1HSD17B10HPGD
SCHEMBL25444295 0.89 CA2 (0.39) CA2CA1ALDH1A1HSD17B10HPGD
SCHEMBL21166592 0.88 LMNA (0.34) LMNA
SCHEMBL25444312 0.86 CA2 (0.34) CA2CA1ALDH1A1HSD17B10HPGD
SCHEMBL25444305 0.85 XIAP (0.40) SKP2CASP3SENP8SENP7SENP6
SCHEMBL25444315 0.81 DAO (0.37) CA2CA1KDM4EACHEADORA2A
SCHEMBL25444304 0.81 DAO (0.37) CA2CA1KDM4EACHEADORA2A
SCHEMBL20464571 0.81 LMNA (0.34) LMNA
SCHEMBL25444298 0.81 CA2 (0.37) CA2CA1ALDH1A1HSD17B10HPGD

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-20230142592-A1 AROMATIC COMPOUND, ORGANIC SEMICONDUCTOR LAYER AND ORGANIC THIN FILM TRANSISTOR TOSOH CORPORATION (JP) 2023-05-11 — — 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-20230142592-A1 AROMATIC COMPOUND, ORGANIC SEMICONDUCTOR LAYER AND ORGANIC THIN FILM TRANSISTOR CHRM1, CHRM2, ACVRL1 CA2 1359/4885CA1 1298/4885ALDH1A1 1807/4885

“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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