SCHEMBL40702

SCHEMBL40702

CC(O)c1ccc(CO)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
TSHR P16473 2/20 0.42
ESR1 P03372 2/20 0.40
UGT2B7 P16662 1/20 0.40
ESR2 Q92731 1/20 0.40
ALDH1A1 P00352 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
ADRB3 P13945 2/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
VHL P40337 1/20 0.37
ELOC Q15369 1/20 0.37
ELOB Q15370 1/20 0.37
LTA4H P09960 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 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
SCHEMBL18118664 1.00 NOS3 (0.42) NOS3NOS1TSHRESR1UGT2B7
Phenyl Ethanol SCHEMBL27658607 0.84 TSHR (0.61) TSHRALDH1A1LTA4HLMNA
Phenyl Ethanol SCHEMBL27632994 0.84 TSHR (0.61) TSHRALDH1A1LTA4HLMNA
Phenyl Ethanol SCHEMBL1872824 0.84 TSHR (0.61) TSHRALDH1A1LTA4HLMNA
SCHEMBL7611040 0.82 ESR1 (0.43) NOS3NOS1TSHRESR1UGT2B7
SCHEMBL7544326 0.82 ESR1 (0.52) NOS3NOS1TSHRESR1ESR2
SCHEMBL113930 0.82 IDO1 (0.52) NOS3NOS1TSHRESR1ESR2
SCHEMBL30231388 0.82 LMNA (0.44) NOS3NOS1TSHRESR1UGT2B7
SCHEMBL29861106 0.82 ESR1 (0.43) NOS3NOS1TSHRESR1UGT2B7
SCHEMBL40657 0.81 CA2 (0.50) NOS3NOS1TSHRALDH1A1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119972172-A Heterogeneous organic polymer catalyst, preparation method thereof and method for synthesizing aldehyde or lactone compound 武汉光化学技术研究院 2025-05-13 CN disclosed
US-20250145552-A1 PROCESS FOR REDUCTION OF CARBOXYLIC ACIDS WITH AMMONIA BORANE CATALYZED BY LEWIS ACID PURDUE RESEARCH FOUNDATION 2025-05-08 US disclosed
CN-113372327-B Glutarimide skeleton-based compound and application thereof 上海科技大学 2023-07-18 CN disclosed
CN-111606883-B Sulfur-containing compound based on glutarimide skeleton and application thereof 上海科技大学 2023-05-09 CN disclosed
EP-3688073-B1 COMPOSITE AND POWER TRANSMISSION BELT MICHELIN & CIE (FR) 2021-08-18 EP disclosed
EP-3688074-B1 COMPOSITE AND POWER TRANSMISSION BELT MICHELIN & CIE (FR) 2021-08-04 EP disclosed
CN-108440535-B Metal fullerene nitroxide free radical derivative and preparation method and application thereof 中国科学院化学研究所 2020-11-06 CN disclosed
CN-108440535-A Metal fullerene nitroxide free-radical derivative and its preparation method and application 中国科学院化学研究所 2018-08-24 CN disclosed
US-20180147568-A1 MAGNETICALLY SEPARABLE IRON-BASED HETEROGENEOUS CATALYSTS FOR DEHYDROGENATION OF ALCOHOLS AND AMINES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-05-31 US disclosed
US-9828518-B2 Copolymer formulations, methods of manufacture thereof and articles comprising the same DOW GLOBAL TECHNOLOGIES LLC (US) 2017-11-28 US disclosed
US-9828518-B2 Copolymer formulations, methods of manufacture thereof and articles comprising the same DOW GLOBAL TECHNOLOGIES LLC (US) 2017-11-28 US disclosed
CN-104692987-B Cheap and efficient synthesis method of halogenated alcohols and derivatives thereof 北京大学 2017-05-17 CN disclosed
US-20150184017-A1 COPOLYMER FORMULATIONS, METHODS OF MANUFACTURE THEREOF AND ARTICLES COMPRISING THE SAME U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2015-07-02 US disclosed
US-20150184017-A1 COPOLYMER FORMULATIONS, METHODS OF MANUFACTURE THEREOF AND ARTICLES COMPRISING THE SAME U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2015-07-02 US disclosed
US-8962852-B2 Asymmetric hydrogenation method for ketone compound NIPPON CHEMICAL INDUSTRIES CO., LTD. (JP) 2015-02-24 US disclosed
US-20130053574-A1 ASYMMETRIC HYDROGENATION METHOD FOR KETONE COMPOUND NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2013-02-28 US disclosed
WO-2012002913-A1 PROCESS OF FORMING A CYCLIC IMIDE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-01-05 WO disclosed
EP-1567678-A1 PROCESS FOR TANNING AND TANNING AGENT TFL Ledertechnik GmbH (DE) 2005-08-31 EP disclosed
WO-2004053170-A1 PROCESS FOR TANNING AND TANNING AGENT TFL LEDERTECHNIK GMBH (DE) 2004-06-24 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 (3 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-20180147568-A1 MAGNETICALLY SEPARABLE IRON-BASED HETEROGENEOUS CATALYSTS FOR DEHYDROGENATION OF ALCOHOLS AND AMINES ADH1A, ADH1C, ADH5 NOS3 86/4885NOS1 65/4885TSHR 2304/4885
US-20130053574-A1 ASYMMETRIC HYDROGENATION METHOD FOR KETONE COMPOUND HCN4, MAP2K5, HCN2 NOS3 3062/4885NOS1 3096/4885TSHR 2919/4885
US-20250145552-A1 PROCESS FOR REDUCTION OF CARBOXYLIC ACIDS WITH AMMONIA BORANE CATALYZED BY LEWIS ACID ADH1A, ADH1C, ADH5 NOS3 1533/4885NOS1 894/4885TSHR 1017/4885

“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.