SCHEMBL991285

SCHEMBL991285

C=C(C(=O)O)c1ccc(CC(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.53
PTGS2 P35354 4/20 0.53
LMNA P02545 3/20 0.53
CYP2C9 P11712 2/20 0.53
AKR1C3 P42330 2/20 0.53
CXCR1 P25024 2/20 0.53
CXCR2 P25025 2/20 0.53
ALOX5 P09917 2/20 0.53
ALB P02768 1/20 0.53
ESR1 P03372 1/20 0.53
RARB P10826 1/20 0.53
ADRB3 P13945 1/20 0.53
NFKB1 P19838 1/20 0.53
HTR2A P28223 1/20 0.53
NR1I3 Q14994 1/20 0.53
SLC22A6 Q4U2R8 1/20 0.53
CXCL8 P10145 1/20 0.53
TSHR P16473 1/20 0.53
AKR1C2 P52895 1/20 0.53
BLM P54132 1/20 0.53

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
SCHEMBL9472086 0.84 EPHX1 (0.54) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL11599241 0.81 PTGS1 (0.56) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL9445447 0.81 CXCR1 (0.49) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL27959311 0.80 PTGS1 (0.60) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL13491995 0.80 PTGS1 (0.50) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL452233 0.80 PTGS1 (0.60) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL1531205 0.79 PTGS1 (0.53) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL10711912 0.79 ALDH1A1 (0.63) CYP2C9AKR1C3SMN1; SMN2ALDH1A1
SCHEMBL28841028 0.78 ALDH1A1 (0.43) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL21064585 0.78 PTGS1 (0.57) PTGS1PTGS2LMNACYP2C9AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116732536-A Method for synthesizing ibuprofen intermediate 上海颐碳化学科技有限公司 2023-09-12 CN claimed
EP-2272853-B1 SPIRO PHOSPHORUS-OXAZOLINE, SYNTHESIS AND USE THEREOF ZHEJIANG JIUZHOU PHARM CO LTD (CN) 2014-08-27 EP claimed
US-8450493-B2 Spiro phosphine-oxazoline, preparation method and application thereof Zheijiang Jiuzhou Pharmaceutical Co., Ltd. (CN) 2013-05-28 US claimed
US-20110118472-A1 Spiro Phosphine-Oxazoline, Preparation Method and Application thereof Zheijiang Jiuzhou Pharmaceutical Co., Ltd. (CN) 2011-05-19 US claimed
EP-2272853-A1 SPIRO PHOSPHORUS-OXAZOLINE, SYNTHESIS AND USE THEREOF Zhejiang Jiuzhou Pharmaceutical Co., Ltd. (CN) 2011-01-12 EP claimed
US-5223640-A Regioselectively silylcarbonylating arylacetylene, oxidizing, desilylating, hydrogenating HOECHST CELANESE CORPORATION (US) 1993-06-29 US claimed
US-5202472-A Hydrogenation of an optically active 2-phenylacrylic acid derivative using a nickel acetylacetonate and a chiral phosphine ETHYL CORPORATION (US) 1993-04-13 US claimed
US-5198576-A Stereospecific hydrogenation of unsaturated acids ETHYL CORPORATION (US) 1993-03-30 US claimed
US-5190905-A Phosphine ligand ETHYL CORPORATION (US) 1993-03-02 US claimed
US-5187136-A Asymmetric hydrogenation of aromatic-substituted olefins using organorhenium catalyst ETHYL CORPORATION (US) 1993-02-16 US claimed
US-5187281-A Using a chiral phosphine compound ETHYL CORPORATION (US) 1993-02-16 US claimed
US-5187135-A And chiral phosphine compound ETHYL CORPORATION (US) 1993-02-16 US claimed
US-5177231-A Asymmetric hydrogenation of aromatic-substituted olefins using cationic ruthenium(III) complexes ETHYL CORPORATION (US) 1993-01-05 US claimed
US-4762948-A USING METALLOCENYL PHOSPHINE REDUCING AGENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-08-09 US claimed
JP-53050138-A None JP disclosed
JP-61112087-A None JP disclosed
CN-116732536-A Method for synthesizing ibuprofen intermediate 上海颐碳化学科技有限公司 2023-09-12 CN disclosed
US-4188491-A PREPARING 2-(4-BIPHENYLYL)PROPIONIC ACIDS BY REACTING BIPHENYLYLMAGNESIUM BROMIDES WITH SODIUM PYRUVATE, ACIDIFYING THE BOOTS COMPANY LIMITED (GB) 1980-02-12 US disclosed
JP-S5350138-A NOVEL ACRYLIC ACID ESTER DERIVATIVES HISAMITSU PHARMACEUT CO INC 1978-05-08 JP disclosed
JP-S05350138-A 0001-01-01 JP 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-20110118472-A1 Spiro Phosphine-Oxazoline, Preparation Method and Application thereof ADH1A, ADH1C, ALDH7A1 PTGS1 1777/4885PTGS2 2712/4885LMNA 3203/4885

“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.