SCHEMBL21629642

SCHEMBL21629642

COC(=O)C(C)Cc1ccc(CCCl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
ALDH1A1 P00352 2/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTPRB P23467 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
CYP4A11 Q02928 3/20 0.39
CXCR1 P25024 1/20 0.39
CXCR2 P25025 1/20 0.39
MIF P14174 1/20 0.38
CYP4F2 P78329 2/20 0.38
FAAH O00519 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7716798 0.86 ESR1 (0.46) ESR1ESR2ALDH1A1THRBCYP2C9
SCHEMBL15495960 0.86 ESR1 (0.46) ESR1ESR2ALDH1A1THRBCYP2C9
SCHEMBL13572956 0.83 FPR2 (0.49) ESR1ESR2ALDH1A1CYP2C9CYP2C19
SCHEMBL7597924 0.83 FPR2 (0.49) ESR1ESR2ALDH1A1CYP2C9CYP2C19
SCHEMBL6575200 0.83 FPR2 (0.49) ESR1ESR2ALDH1A1CYP2C9CYP2C19
SCHEMBL7454243 0.82 NPC1 (0.50) ALDH1A1THRBHSD17B10TAS1R3TAS1R1
SCHEMBL14590363 0.81 ATM (0.50) ESR1ESR2ALDH1A1THRBCYP2C9
SCHEMBL6575139 0.81 ATM (0.50) ESR1ESR2ALDH1A1THRBCYP2C9
SCHEMBL15314148 0.81 ESR1 (0.65) ESR1ESR2MIFKMT2A
SCHEMBL5546946 0.81 ESR1 (0.65) ESR1ESR2MIFKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11370742-B2 Process and intermediates for the preparation of bilastine FAES FARMA, S.A. 2022-06-28 US disclosed
EP-3826997-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF BILASTINE FAES FARMA SA (ES) 2021-11-10 EP disclosed
US-20210300856-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF BILASTINE FAES FARMA, S.A. (ES) 2021-09-30 US disclosed
EP-3826997-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF BILASTINE FAES FARMA, S.A. (ES) 2021-06-02 EP disclosed
CN-112469709-A Preparation method of bilastine and intermediate thereof 费斯制药股份有限公司 2021-03-09 CN disclosed
WO-2020020873-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF BILASTINE FAES FARMA, S.A. (ES) 2020-01-30 WO disclosed
EP-3599235-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF BILASTINE FAES FARMA, S.A. (ES) 2020-01-29 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 (2 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-20210300856-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF BILASTINE CYP1B1, CYP2E1, CYP1A1 ESR1 1214/4885ESR2 1839/4885ALDH1A1 1046/4885
US-11370742-B2 Process and intermediates for the preparation of bilastine CYP1B1, CYP2E1, CYP1A1 ESR1 1214/4885ESR2 1839/4885ALDH1A1 1046/4885

“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.