SCHEMBL2198197

SCHEMBL2198197

CC(O[C]=O)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
MMP2 P08253 2/20 0.31
CA9 Q16790 2/20 0.31
EPHX1 P07099 1/20 0.30

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
SCHEMBL826690 0.98 SHBG (0.36) SHBGCA12CA1CA2MMP2
SCHEMBL3020048 0.95
SCHEMBL456219 0.90
SCHEMBL4672205 0.81
SCHEMBL29032098 0.79
SCHEMBL2961100 0.79 CPN1 (0.33)
SCHEMBL21218791 0.79
SCHEMBL17748236 0.79
SCHEMBL2848595 0.77 EPHX1 (0.31) EPHX1
SCHEMBL2839695 0.75 EPHX1 (0.34) SHBGEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115704995-A Curable composition, cured film and application thereof, method for producing cured film, and polymer JSR株式会社 2023-02-17 CN disclosed
CN-115433591-A Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal element, polymer and method for producing same JSR株式会社 2022-12-06 CN disclosed
CN-115197719-A Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal element, and method for producing same JSR株式会社 2022-10-18 CN disclosed
EP-1719794-B1 NOVEL POLYMERS AND USES THEREOF MITSUI CHEMICALS INC (JP) 2017-01-04 EP disclosed
US-7977429-B2 Polymers and uses thereof MITSUI CHEMICALS, INC. (JP) 2011-07-12 US disclosed
US-20080124552-A1 Particle With Rough Surface For Plating Or Vapor Deposition NISSHINBO INDUSTRIES, INC. (JP) 2008-05-29 US disclosed
US-20070154431-A1 Novel polymers and uses thereof MITSUI CHEMICALS, INC. (JP) 2007-07-05 US disclosed
EP-1719794-A1 NOVEL POLYMERS AND USES THEREOF Mitsui Takeda Chemicals, Inc. (JP) 2006-11-08 EP disclosed
EP-1517881-A1 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES Syngenta Participations AG (CH) 2005-03-30 EP disclosed
US-6812235-B2 2-ACYLAMINO- BETA -ALANINE DERIVATIVES AND A PHARMACEUTICALLY ACCEPTABLE SALT, USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-02 US disclosed
WO-2004002943-A1 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-01-08 WO disclosed
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ASTELLAS PHARMA INC. (JP) 2003-01-23 US disclosed
EP-1255748-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-13 EP disclosed
WO-2001060813-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO disclosed
US-5821277-A Thermosetting and procuring compositions for color filters and method for making the same NIPPON OIL CO., LTD. (JP) 1998-10-13 US disclosed
US-5811475-A REACTING A CARBON WITH A POLYMER HAVING A REACTIVE GROUP AND A HYDROLYZABLE TERT-ALKYL ACRYLIC ESTER; PRINTING INKS; DIELECTRICS; HIGH ELECTRICAL RESISTANCE NIPPON OIL CO., LTD. (JP) 1998-09-22 US disclosed
EP-0753548-A2 Method for producing carbonaceous material NIPPON OIL COMPANY, LIMITED (JP) 1997-01-15 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 (2 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-20070154431-A1 Novel polymers and uses thereof RAD54L, VCL, TYR SHBG 4347/4885CA12 4307/4885CA1 4826/4885
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ARRB1, ADRB1, GLRB SHBG 174/4885CA12 937/4885CA1 662/4885

“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.