SCHEMBL7807878

SCHEMBL7807878

CC(C)Oc1ccc(F)c(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 1/20 0.39
▸ KAT6A Q92794 1/20 0.38
▸ PARP10 Q53GL7 1/20 0.38
▸ PDK2 Q15119 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ BRPF1 P55201 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ CYP3A5 P20815 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.36
▸ ALDH1A3 P47895 1/20 0.36
▸ FFAR4 Q5NUL3 4/20 0.36
▸ TRPV3 Q8NET8 1/20 0.36

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
SCHEMBL25744913 0.87 POLB (0.38) POLBMAPTALDH1A1NR1H4
SCHEMBL12896068 0.85 SLC6A4 (0.43) ALDH1A1KMT2AKAT6APARP10PDK2
SCHEMBL24768010 0.85 POLB (0.39) POLBMAPTALDH1A1NR1H4
SCHEMBL7815438 0.85 ALDH1A1 (0.41) POLBMAPTALDH1A1KMT2AKAT6A
SCHEMBL19297892 0.83 ALDH1A1 (0.37) POLBALDH1A1KMT2AKAT6APDK2
SCHEMBL10211859 0.79 CA1 (0.50) POLBMAPTALDH1A1
SCHEMBL30829775 0.78 ALDH1A1 (0.47) POLBALDH1A1KMT2AKAT6APARP10
SCHEMBL1020456 0.78 ALDH1A1 (0.47) POLBALDH1A1KMT2AKAT6APARP10
SCHEMBL26417525 0.77 KIF11 (0.39) POLBMAPTALDH1A1NR1H4
SCHEMBL19422370 0.76 ALDH1A1 (0.42) POLBMAPTALDH1A1KMT2APARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023519-B2 Cyclobutane containing carboxylic acid GPR120 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-17 — — US disclosed
US-10023519-B2 Cyclobutane containing carboxylic acid GPR120 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-17 — — US disclosed
US-20170247311-A1 CYCLOBUTANE CONTAINING CARBOXYLIC ACID GPR120 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-08-31 — — US disclosed
US-20170247311-A1 CYCLOBUTANE CONTAINING CARBOXYLIC ACID GPR120 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-08-31 — — US disclosed
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-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases WYETH (US) 2010-05-13 — — US disclosed
US-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases WYETH (US) 2010-05-13 — — 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 (6 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-10023519-B2 Cyclobutane containing carboxylic acid GPR120 modulators GPR68, GPR88, GPR55 POLB 3974/4885MAPT 3873/4885ALDH1A1 2093/4885
US-20100120763-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES PDE2A, PDE5A, PDE3A POLB 3171/4885MAPT 3773/4885ALDH1A1 133/4885
US-20170247311-A1 CYCLOBUTANE CONTAINING CARBOXYLIC ACID GPR120 MODULATORS GPR68, GPR88, GPR55 POLB 3974/4885MAPT 3873/4885ALDH1A1 2093/4885
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 POLB 2783/4885MAPT 25/4885ALDH1A1 209/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 POLB 2783/4885MAPT 25/4885ALDH1A1 209/4885
US-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases PDE2A, PDE5A, PDE12 POLB 2324/4885MAPT 3051/4885ALDH1A1 565/4885

“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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