SCHEMBL2791920

SCHEMBL2791920

CC(=O)OCCCC(F)(F)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
PTGS2 P35354 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SCN1A P35498 2/20 0.39
SCN2A Q99250 2/20 0.39
SCN3A Q9NY46 2/20 0.39
RAD52 P43351 1/20 0.38
TSHR P16473 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
CACNA1B Q00975 1/20 0.38
SLC18A3 Q16572 1/20 0.38
CNR1 P21554 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2J2 P51589 1/20 0.37

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
SCHEMBL2011672 0.90 ALDH1A1 (0.46) ALDH1A1SCN1ASCN2ASCN3ATSHR
SCHEMBL13232138 0.80 ALDH1A1 (0.48) ALDH1A1SCN1ASCN2ASCN3ATSHR
SCHEMBL10453245 0.76 ALDH1A1 (0.42) ALDH1A1PTGS2TDP1RAD52TSHR
SCHEMBL13232139 0.75 ALDH1A1 (0.48) ALDH1A1TSHRCNR1
SCHEMBL12603496 0.75 KIF11 (0.49) ALDH1A1PTGS2TDP1RAD52CYP3A4
SCHEMBL2750053 0.75 KCNN4 (0.38) ALDH1A1
SCHEMBL21598306 0.75 ALDH1A1 (0.47) ALDH1A1SCN1ASCN2ASCN3ARAD52
Tert-Butylbenzene SCHEMBL27666463 0.74 ALDH1A1 (0.58) ALDH1A1TDP1TSHRCHRM2CHRM4
SCHEMBL20885222 0.73 ALDH1A1 (0.46) ALDH1A1SCN1ASCN2ASCN3ARAD52
SCHEMBL9712526 0.73 ALDH1A1 (0.50) ALDH1A1PTGS2TSHRCHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12338203-B2 Urea compound for antagonizing LPA1 receptor TAISHO PHARMACEUTICAL CO., LTD. (JP) 2025-06-24 US disclosed
CN-119823001-A Urea compounds antagonizing LPA1 receptor 大正制药株式会社 2025-04-15 CN disclosed
CN-114206832-B Urea compounds antagonizing LPA1 receptor 大正制药株式会社 2025-04-04 CN disclosed
US-20230097871-A1 UREA COMPOUND FOR ANTAGONIZING LPA1 RECEPTOR TAISHO PHARMACEUTICAL CO., LTD. (JP) 2023-03-30 US disclosed
EP-4008405-A1 UREA COMPOUND FOR ANTAGONIZING LPA1 RECEPTOR Taisho Pharmaceutical Co., Ltd. (JP) 2022-06-08 EP disclosed
CN-114206832-A Urea compounds antagonizing LPA1 receptor 大正制药株式会社 2022-03-18 CN disclosed
WO-2021020429-A1 UREA COMPOUND FOR ANTAGONIZING LPA1 RECEPTOR 大正製薬株式会社 2021-02-04 WO disclosed
US-20150210643-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. 2015-07-30 US disclosed
EP-2057122-B1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE 2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2010-09-01 EP disclosed
US-20100168161-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2010-07-01 US disclosed
EP-2057122-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE 2 ADRENERGIC RECEPTOR Laboratorios Almirall, S.A. (ES) 2009-05-13 EP disclosed
WO-2008046598-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2008-04-24 WO 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 (4 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-12338203-B2 Urea compound for antagonizing LPA1 receptor LPAR1, LPAR2, LPAR3 ALDH1A1 1250/4885PTGS2 2880/4885TDP1 4031/4885
US-20230097871-A1 UREA COMPOUND FOR ANTAGONIZING LPA1 RECEPTOR LPAR1, LPAR2, LPAR3 ALDH1A1 1250/4885PTGS2 2880/4885TDP1 4031/4885
US-20100168161-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRB1, ADRA2C ALDH1A1 434/4885PTGS2 569/4885TDP1 2533/4885
US-20150210643-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRB1, ADRA2C ALDH1A1 434/4885PTGS2 569/4885TDP1 2533/4885

“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.