SCHEMBL12092237

SCHEMBL12092237

CC(C)(C)CN1CCN(CC(=O)ON2C(=O)CCC2=O)CC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ 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
SCHEMBL9925280 0.93 PLA2G10 (0.34) ALDH1A1
SCHEMBL3700587 0.85 PLA2G10 (0.38) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL20750016 0.83 KMT2A (0.41) ALDH1A1
SCHEMBL10475746 0.83 ALOX15 (0.37) ALDH1A1TSHRCYP2C19SMN1; SMN2
SCHEMBL12906770 0.83 ALOX15 (0.37) ALDH1A1TSHRCYP2C19SMN1; SMN2
SCHEMBL18118469 0.83 ALOX15 (0.37) ALDH1A1TSHRCYP2C19SMN1; SMN2
SCHEMBL12092238 0.82 TACR1 (0.36) ALDH1A1CYP3A4TSHR
SCHEMBL15518427 0.81 HSD17B10 (0.39) ALDH1A1TSHRSMN1; SMN2
SCHEMBL560792 0.81 HSD17B10 (0.39) ALDH1A1TSHRSMN1; SMN2
SCHEMBL30069168 0.80 PLA2G10 (0.35) ALDH1A1

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-8952147-B2 Conjugates, preparation thereof, and therapeutic use thereof SANOFI (FR) 2015-02-10 — — US disclosed
US-20120225089-A1 NOVEL CONJUGATES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-09-06 — — 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-20120225089-A1 NOVEL CONJUGATES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF ERG28, CARS1, FOLH1 ALDH1A1 1912/4885CYP1A2 1440/4885CYP3A4 1180/4885

“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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