SCHEMBL111159

SCHEMBL111159

CC(O)C(CO)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.50
TAAR1 Q96RJ0 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ADRA2C P18825 2/20 0.47
CYP2D6 P10635 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CHRM2 P08172 1/20 0.47
ADRA1A P35348 1/20 0.47
RGS12 O14924 1/20 0.47
GLA P06280 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
NFKB1 P19838 1/20 0.47
HTR2A P28223 1/20 0.47
CYP2C19 P33261 1/20 0.47
THPO P40225 1/20 0.47

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
SCHEMBL27991213 0.86 TRPA1 (0.52) TRPA1TAAR1KDM4EADRA2CCYP2D6
SCHEMBL28283404 0.85 TRPA1 (0.47) TRPA1TAAR1KDM4EADRA2CCYP2D6
SCHEMBL873143 0.84 TAAR1 (0.61) TRPA1TAAR1KDM4EADRA2CCYP2D6
SCHEMBL759880 0.84 TAAR1 (0.61) TRPA1TAAR1KDM4EADRA2CCYP2D6
SCHEMBL9908239 0.84 TAAR1 (0.61) TRPA1TAAR1KDM4EADRA2CCYP2D6
SCHEMBL11744344 0.83 SLC6A2 (0.50) TRPA1TAAR1KDM4ECYP2D6TSHR
SCHEMBL13909501 0.83 TRPA1 (0.52) TRPA1TAAR1KDM4ECYP2D6ALDH1A1
SCHEMBL15481758 0.83 TRPA1 (0.53) TRPA1TAAR1KDM4EADRA2CCYP2D6
SCHEMBL18901666 0.82 LMNA (0.58) TRPA1TAAR1KDM4EADRA2CCYP2D6
SCHEMBL17892871 0.82 LMNA (0.58) TRPA1TAAR1KDM4EADRA2CCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11618748-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2023-04-04 US disclosed
US-11236443-B2 Fibers formed from a blend of a modified aliphatic-aromatic copolyester and theremoplastic starch KIMBERLY-CLARK WORLDWIDE, INC. (US) 2022-02-01 US disclosed
US-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2021-11-25 US disclosed
EP-3828172-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE Aerie Pharmaceuticals, Inc. (US) 2021-06-02 EP disclosed
US-20210002792-A1 Fibers Formed from a Blend of a Modified Aliphatic-Aromatic Copolyester and Theremoplastic Starch KIMBERLY-CLARK WORLDWIDE, INC. (US) 2021-01-07 US disclosed
EP-3354643-B1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS INC (US) 2020-10-28 EP disclosed
EP-2044251-B1 BIODEGRADABLE ALIPHATIC POLYESTER FOR USE IN NONWOVEN WEBS NATUREWORKS LLC (US) 2019-10-02 EP disclosed
US-10316029-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2019-06-11 US disclosed
US-10174017-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2019-01-08 US disclosed
CN-105102420-B Polyetheramines based on 1, 3-diols 巴斯夫欧洲公司 2018-09-21 CN disclosed
WO-2009024836-A1 MULTICOMPONENT BIODEGRADABLE FILAMENTS AND NONWOVEN WEBS FORMED THEREFROM KIMBERLY-CLARK WORLDWIDE, INC. (US) 2009-02-26 WO disclosed
WO-2008008068-A1 BIODEGRADABLE ALIPHATIC-AROMATIC COPOLYESTER FOR USE IN NONWOVEN WEBS KIMBERLY-CLARK WORLDWIDE, INC. (US) 2008-01-17 WO disclosed
WO-2008008074-A1 BIODEGRADABLE POLYACTIC ACID FOR USE IN NONWOVEN WEBS KIMBERLY-CLARK WORLDWIDE, INC. (US) 2008-01-17 WO disclosed
WO-2008008067-A1 BIODEGRADABLE ALIPHATIC POLYESTER FOR USE IN NONWOVEN WEBS KIMBERLY-CLARK WORLDWIDE, INC. (US) 2008-01-17 WO disclosed
EP-1160245-B1 PROCESS FOR PRODUCING CARBONYL COMPOUNDS BY DEHYDROGENATION OF ALCOHOLS MITSUBISHI CHEM CORP (JP) 2007-11-14 EP disclosed
US-6492532-B2 Method for producing carbonyl compound by dehydrogenating alcohol MITSUBISHI CHEMICAL CORPORATION (JP) 2002-12-10 US disclosed
US-20020002289-A1 Method for producing carbonyl compound by dehydrogenating alcohol MITSUBISHI CHEMICAL CORPORATION (JP) 2002-01-03 US disclosed
EP-1160245-A1 PROCESS FOR PRODUCING CARBONYL COMPOUNDS BY DEHYDROGENATION OF ALCOHOLS MITSUBISHI CHEMICAL CORPORATION (JP) 2001-12-05 EP disclosed
EP-0369249-A2 Process for the preparation of cyclic carbonates BAYER AG (DE) 1990-05-23 EP disclosed
US-4623736-A INTERMEDIATES FOR ANALGESICS THE UPJOHN COMPANY (US) 1986-11-18 US 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-11618748-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 TRPA1 3206/4885TAAR1 456/4885KDM4E 2956/4885
US-10316029-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 TRPA1 3206/4885TAAR1 456/4885KDM4E 2956/4885
US-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 TRPA1 3206/4885TAAR1 456/4885KDM4E 2956/4885
US-10174017-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 TRPA1 3206/4885TAAR1 456/4885KDM4E 2956/4885

“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.