SCHEMBL5353262

SCHEMBL5353262

C=CCCCCCC(CCCCCC(F)(F)C(F)(F)F)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 2/20 0.40
USP2 O75604 3/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 2/20 0.38
RECQL P46063 1/20 0.35
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ABCC4 O15439 1/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.30
HTT P42858 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
SCHEMBL7227828 1.00 CPB2 (0.40) CPB2USP2MAPTALDH1A1CYP3A4
SCHEMBL7227733 1.00 CPB2 (0.40) CPB2USP2MAPTALDH1A1CYP3A4
SCHEMBL7227018 1.00 CPB2 (0.40) CPB2USP2MAPTALDH1A1CYP3A4
SCHEMBL7234586 1.00 CPB2 (0.40) CPB2USP2MAPTALDH1A1CYP3A4
SCHEMBL7227146 1.00 CPB2 (0.40) CPB2USP2MAPTALDH1A1CYP3A4
SCHEMBL5354590 0.99 CPB2 (0.40) CPB2USP2MAPTALDH1A1CYP3A4
SCHEMBL5352239 0.99 CPB2 (0.40) CPB2USP2MAPTALDH1A1CYP3A4
SCHEMBL7227354 0.91 CPB2 (0.37) CPB2USP2MAPTALDH1A1CYP3A4
SCHEMBL5354157 0.90 CPB2 (0.38) CPB2USP2MAPTALDH1A1CYP3A4
SCHEMBL5350121 0.90 CPB2 (0.38) CPB2USP2MAPTALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196081-B2 Compounds with hydroxycarbonyl-halogenoalkyl side chains CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-03-27 US disclosed
US-20050192449-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chains CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-09-01 US disclosed
US-6737417-B2 AN ANTIESTROGENIC AGENT CONTAININING AROMATIC OR HETEROAROMATIC COMPOUNDS CONTAINING HYDROXYCARBONYL OR METAL SALT- HALOGENOALKYL SIDE CHAIN; USEFUL FOR TREATING BREAST CANCER CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-18 US disclosed
EP-1361205-A1 Compounds with hydroxycarbonyl-halogenalkyl side chains CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-12 EP disclosed
US-20030130347-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chains CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-07-10 US disclosed
US-20030114524-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chain CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-06-19 US disclosed
US-6552068-B1 Having anti-estrogenic activity; for use in therapy CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-04-22 US disclosed
EP-1241167-A1 3-ETHYL-, 3-PROPYL- OR 3-BUTYL-CHROMAN AND -THIOCHROMAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-09-18 EP disclosed
EP-1241158-A1 COMPOUND HAVING HYDROXYCARBONYL-HALOGENOALKYL SIDE CHAIN CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-09-18 EP 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-20050192449-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chains CYP19A1, HSD17B11, SHBG CPB2 2517/4885USP2 2521/4885MAPT 4418/4885
US-20030114524-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chain HSD17B11, CYP19A1, SHBG CPB2 2842/4885USP2 2284/4885MAPT 4629/4885
US-20030130347-A1 Compounds with hydroxycarbonyl-halogenoalkyl side chains HSD17B11, CYP19A1, SHBG CPB2 2857/4885USP2 2262/4885MAPT 4620/4885

“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.