SCHEMBL104142

SCHEMBL104142

CCCc1cc(C(OCOC)(C(F)(F)F)C(F)(F)F)ccc1N1CCN[C@H](C)C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.37
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
XIAP P98170 1/20 0.32
BIRC2 Q13490 1/20 0.32
LIPC P11150 2/20 0.32
LIPG Q9Y5X9 2/20 0.32
KDM4E B2RXH2 3/20 0.31
KHK P50053 1/20 0.31
HSD11B1 P28845 1/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
PMP22 Q01453 1/20 0.30
USP28 Q96RU2 2/20 0.30
BRPF1 P55201 2/20 0.30
USP25 Q9UHP3 1/20 0.30
BRD4 O60885 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
SCHEMBL142053 0.83 CHRNB2 (0.34)
SCHEMBL103944 0.78 CXCR3 (0.38) ALDH1A1LMNA
SCHEMBL106880 0.78 CXCR3 (0.38) ALDH1A1LMNA
SCHEMBL103992 0.78 CXCR3 (0.38) ALDH1A1LMNA
SCHEMBL102653 0.77 MAPK1 (0.36) HTR2CALDH1A1LMNAPMP22
SCHEMBL542620 0.74 ESR1 (0.40) LMNA
SCHEMBL102390 0.72 MC4R (0.36)
SCHEMBL105423 0.67
SCHEMBL105424 0.67
SCHEMBL106913 0.67

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
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 HTR2C 2623/4885ALDH1A1 4311/4885LMNA 1575/4885

“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.