SCHEMBL11922809

SCHEMBL11922809

CCCCNC(C)(C)CC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH7 P40394 1/20 0.32
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EPHX1 P07099 1/20 0.31

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
SCHEMBL10258503 0.93 TSHR (0.42) TSHRADH1BADH1CADH1AADH7
SCHEMBL29918589 0.91 EPHX1 (0.42) TSHRADH1BADH1CADH1AADH7
SCHEMBL13167887 0.91 EPHX1 (0.42) TSHRADH1BADH1CADH1AADH7
SCHEMBL7831036 0.84 DPP4 (0.31)
SCHEMBL9286517 0.84 TDP1 (0.34) TSHR
SCHEMBL13701511 0.81 TSHR (0.33) TSHRCA1CA2ADH1BADH1C
SCHEMBL10708238 0.81 DPP4 (0.33) ALDH1A1
SCHEMBL9152291 0.81 EPHX1 (0.38) TSHRADH1BADH1CADH1AADH7
SCHEMBL3369009 0.79 EPHX1 (0.41) TSHRCA1CA2ADH1BADH1C
SCHEMBL16520178 0.78 TDP1 (0.37) TSHRCA1CA2CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260092138-A1 BLOCKED POLYISOCYANATE COMPOSITION, CURABLE RESIN COMPOSITION COMPRISING THE COMPOSITION, AND CURED PRODUCT KOEI CHEMICAL COMPANY, LIMITED (JP) 2026-04-02 US disclosed
US-8236965-B2 Benzimidazole derivatives and their use as a medicament IPSEN PHARMA S.A.S. (FR) 2012-08-07 US disclosed
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament SOCIETE DE CONSEILS DE RECHERECHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2009-07-02 US disclosed
US-7495110-B2 Benzimidazole derivatives and their use as GnRH antagonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-02-24 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 (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-20260092138-A1 BLOCKED POLYISOCYANATE COMPOSITION, CURABLE RESIN COMPOSITION COMPRISING THE COMPOSITION, AND CURED PRODUCT RER1, RPP30, REV1 TSHR 3522/4885CA1 938/4885CA2 1973/4885
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament GNRHR, FSHR, KISS1R TSHR 64/4885CA1 2858/4885CA2 1886/4885

“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.