SCHEMBL8372012

SCHEMBL8372012

CCc1cc(OC(C)C)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
MTNR1B P49286 1/20 0.43
PARP10 Q53GL7 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
FFAR4 Q5NUL3 5/20 0.41
BRD4 O60885 1/20 0.41
BRPF1 P55201 1/20 0.41

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
SCHEMBL24587311 0.85 PPARG (0.40) ALDH1A1MTNR1B
SCHEMBL12187714 0.85 ALDH1A1 (0.44) ALDH1A1POLBKMT2APARP10NPSR1
SCHEMBL6935709 0.84 FFAR4 (0.46) ALDH1A1POLBKMT2AMTNR1BFFAR4
SCHEMBL5746010 0.83 HSD17B10 (0.47) ALDH1A1POLBKMT2AMTNR1BFFAR4
SCHEMBL27634255 0.80 MTNR1B (0.39) ALDH1A1POLBMTNR1BFFAR4
SCHEMBL14183049 0.79 ALDH1A1 (0.46) ALDH1A1POLBKMT2APARP10NPSR1
SCHEMBL19440429 0.79 LMNA (0.40) ALDH1A1POLBMTNR1BBRD4
SCHEMBL7726702 0.79 CHRM2 (0.55) KMT2AMTNR1B
SCHEMBL30829775 0.78 ALDH1A1 (0.47) ALDH1A1POLBKMT2APARP10FFAR4
SCHEMBL1020456 0.78 ALDH1A1 (0.47) ALDH1A1POLBKMT2APARP10FFAR4

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-8367838-B2 Amines or amino alcohols as GLYT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-02-05 US disclosed
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS KOLCZEWSKI SABINE (DE) 2012-09-13 US disclosed
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 US disclosed
US-20100120763-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES WYETH (US) 2010-05-13 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 (3 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-20100120763-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES PDE2A, PDE5A, PDE3A ALDH1A1 133/4885POLB 3171/4885KMT2A 1501/4885
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 ALDH1A1 209/4885POLB 2783/4885KMT2A 397/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 ALDH1A1 209/4885POLB 2783/4885KMT2A 397/4885

“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.