SCHEMBL7119913

SCHEMBL7119913

COC(=O)C1CCCCCCCCCCC1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.68
POLB P06746 1/20 0.56
ALDH1A1 P00352 3/20 0.51
TP53 P04637 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CHRNB2 P17787 2/20 0.45
CHRNA4 P43681 2/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA7 P36544 1/20 0.45
GAA P10253 1/20 0.43

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
SCHEMBL18557032 1.00 SMN1; SMN2 (0.68) SMN1; SMN2POLBALDH1A1TP53CES2
SCHEMBL30542346 1.00 SMN1; SMN2 (0.68) SMN1; SMN2POLBALDH1A1TP53CES2
SCHEMBL30542347 1.00 SMN1; SMN2 (0.68) SMN1; SMN2POLBALDH1A1TP53CES2
SCHEMBL15443235 1.00 SMN1; SMN2 (0.68) SMN1; SMN2POLBALDH1A1TP53CES2
SCHEMBL18760457 1.00 SMN1; SMN2 (0.68) SMN1; SMN2POLBALDH1A1TP53CES2
SCHEMBL12326212 1.00 SMN1; SMN2 (0.68) SMN1; SMN2POLBALDH1A1TP53CES2
SCHEMBL18552 1.00 SMN1; SMN2 (0.68) SMN1; SMN2POLBALDH1A1TP53CES2
SCHEMBL1818944 1.00 SMN1; SMN2 (0.68) SMN1; SMN2POLBALDH1A1TP53CES2
SCHEMBL29058069 1.00 SMN1; SMN2 (0.68) SMN1; SMN2POLBALDH1A1TP53CES2
SCHEMBL6966832 1.00 SMN1; SMN2 (0.68) SMN1; SMN2POLBALDH1A1TP53CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3406608-B1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE LES LABORATOIRES SERVIER SAS (FR) 2021-09-15 EP disclosed
US-9512107-B2 Therapeutically active compositions and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2016-12-06 US disclosed
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents DIXON BRIAN R (US) 2003-11-06 US disclosed
US-6353006-B1 TREATMENT OF BONE DISORDERS, OSTEOPOROSIS AND HEALING AGENT BAYER CORPORATION 2002-03-05 US disclosed
CN-1337955-A Substituted 2-arylimino heterocycles and compositions containing them, for use as progesterone receptor binding agents AMERICAN BAYER CORP (US) 2002-02-27 CN disclosed
US-3932484-A FROM CYCLODODECATRIENE AND CARBON MONOXIDE, COORDINATION CATALYST TEXACO INC. (US) 1976-01-13 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-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents PGR, PGRMC2, PGRMC1 SMN1; SMN2 4733/4885POLB 4005/4885ALDH1A1 587/4885

“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.