SCHEMBL659263

SCHEMBL659263

CC(=O)Nc1ccc(CCC(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.59
KDM4E B2RXH2 1/20 0.58
FFAR1 O14842 7/20 0.57
CYP2C9 P11712 1/20 0.56
FFAR4 Q5NUL3 1/20 0.56
PTPN1 P18031 1/20 0.54
AOC3 Q16853 1/20 0.54
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NAPRT Q6XQN6 1/20 0.53
HSD17B10 Q99714 1/20 0.53
KEAP1 Q14145 1/20 0.53
TSHR P16473 2/20 0.53
GAA P10253 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 1/20 0.52
CA12 O43570 1/20 0.52
BRD4 O60885 1/20 0.52
NR1I2 O75469 1/20 0.52

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
SCHEMBL11135027 0.95 TSHR (0.61) NR1H4KDM4EFFAR1CYP2C9FFAR4
SCHEMBL30873951 0.95 HTT (0.63) NR1H4KDM4EFFAR1CYP2C9FFAR4
SCHEMBL5366230 0.89 HSD17B10 (0.62) NR1H4KDM4EFFAR1CYP2C9PTPN1
SCHEMBL11136904 0.89 NR1H4 (0.50) NR1H4KDM4EFFAR1CYP2C9FFAR4
SCHEMBL10750700 0.87 ALDH1A1 (0.57) NR1H4KDM4ECYP2C9PTPN1AOC3
SCHEMBL28053184 0.87 AOC3 (0.55) NR1H4KDM4ECYP2C9PTPN1AOC3
SCHEMBL29622963 0.86 AOC3 (0.67) NR1H4KDM4EPTPN1AOC3HTT
SCHEMBL29622962 0.86 AOC3 (0.67) NR1H4KDM4EPTPN1AOC3HTT
Acedoben SCHEMBL29011330 0.86 CYP2C9 (0.65) NR1H4KDM4EFFAR1CYP2C9FFAR4
SCHEMBL11803965 0.85 AOC3 (0.54) NR1H4KDM4ECYP2C9PTPN1AOC3

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104447376-B A kind of synthesis technique of antineoplastic agent chlorambucil 平湖优康药物研发有限公司 2016-10-05 CN disclosed
CN-104447376-A Synthesis process of antineoplastic drug chlorambucil PINGHU UCON PHARMACEUTICAL R & D CO LTD 2015-03-25 CN disclosed
US-20140142074-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-05-22 US disclosed
US-20140142074-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-05-22 US disclosed
US-20130079313-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-03-28 US disclosed
US-20130079313-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-03-28 US disclosed
US-20120283260-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ASTELLAS PHARMA INC. (JP) 2012-11-08 US disclosed
US-8252793-B2 Bradykinin receptor agonists and uses thereof to treat ocular hypertension and glaucoma ALCON RESEARCH, LTD. (US) 2012-08-28 US disclosed
WO-2012024419-A2 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ALCON RESEARCH, LTD. (US) 2012-02-23 WO disclosed
US-20120046285-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ASTELLAS PHARMA INC. (JP) 2012-02-23 US disclosed
EP-0604800-A1 4- 4- 4-(carboxyalkyl)-phenyl amino carbonyl -phenyl -piperedines as aggregation inhibitors Dr. Karl Thomae GmbH (DE) 1994-07-06 EP disclosed
EP-0220746-B1 SILVER HALIDE PHOTOGRAPHIC MATERIALS FUJI PHOTO FILM CO., LTD. (JP) 1991-12-27 EP disclosed
EP-0418743-A2 Heat-developable light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 1991-03-27 EP disclosed
US-4855314-A VASOCONTRICTORS, TREATMENT OF MIGRAINES, 3-(AMINO-ETHYL)-5-(PHENYL(ALKYL)-CARBONYL OR SULFONYL-AMINOALKYL SUBSTITUTED GLAXO GROUP LIMITED (GB) 1989-08-08 US disclosed
EP-0198356-B1 HEAT DEVELOPABLE LIGHT-SENSITIVE MATERIAL FUJI PHOTO FILM CO., LTD. (JP) 1989-07-26 EP disclosed
US-4783396-A Silver halide photographic materials FUJI PHOTO FILM CO., LTD. (JP) 1988-11-08 US disclosed
US-4764458-A CONTAINING ORGANIC SILVER SALT OF UNSATURATED AROMATIC CARBOXYLATE FUJI PHOTO FILM CO., LTD. (JP) 1988-08-16 US disclosed
EP-0240096-A1 Indole derivatives having a selective vasoconstrictor activity GLAXO GROUP LIMITED (GB) 1987-10-07 EP disclosed
EP-0220746-A2 Silver halide photographic materials FUJI PHOTO FILM CO., LTD. (JP) 1987-05-06 EP disclosed
EP-0198356-A1 Heat developable light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 1986-10-22 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 (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-20120283260-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA BDKRB2, BDKRB1, PTGIR NR1H4 502/4885KDM4E 3092/4885FFAR1 513/4885
US-20130079313-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE3A NR1H4 2841/4885KDM4E 373/4885FFAR1 2374/4885
US-20120046285-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA BDKRB2, BDKRB1, PTGIR NR1H4 502/4885KDM4E 3092/4885FFAR1 513/4885
US-20140142074-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE3A NR1H4 2841/4885KDM4E 373/4885FFAR1 2374/4885

“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.