SCHEMBL19753720

SCHEMBL19753720

CC1[C@H](C)CC[C@@H]1c1ccc(O)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 13/20 0.48
▸ ACHE P22303 1/20 0.46
▸ KDM1A O60341 2/20 0.42
▸ ESR1 P03372 4/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ SHBG P04278 1/20 0.35

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
SCHEMBL16000745 0.89 ESR2 (0.54) ESR2ACHEKDM1AESR1CYP3A4
SCHEMBL18559749 0.78 KDM1A (0.54) ESR2ACHEKDM1AESR1CYP3A4
SCHEMBL18559915 0.78 KDM1A (0.54) ESR2ACHEKDM1AESR1CYP3A4
SCHEMBL28189819 0.76 ACHE (0.55) ESR2ACHEKDM1AESR1CYP3A4
SCHEMBL10884060 0.76 ESR2 (0.55) ESR2ACHEKDM1AESR1CYP3A4
SCHEMBL27745696 0.76 ESR2 (0.55) ESR2ACHEKDM1AESR1CYP3A4
Ammonia Solution, Strong SCHEMBL268752 0.76 KDM1A (0.52) ESR2ACHEKDM1AESR1CYP3A4
SCHEMBL9861182 0.75 ESR2 (0.48) ESR2ACHEKDM1AESR1CYP3A4
SCHEMBL27991642 0.73 ESR2 (0.40) ESR2KDM1AESR1CYP3A4CYP2C9
SCHEMBL13484238 0.71 ESR2 (0.44) ESR2ACHEKDM1AESR1SHBG

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-20170369437-A1 Process for Preparing Alpha-Carboxamide Pyrrolidine Derivatives Convergence Pharmaceuticals Limited (GB) 2017-12-28 — — 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-20170369437-A1 Process for Preparing Alpha-Carboxamide Pyrrolidine Derivatives CPS1, ALDH18A1, PCCA ESR2 4309/4885ACHE 985/4885KDM1A 414/4885

“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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