SCHEMBL4353971

SCHEMBL4353971

CCOc1cccc(C[O])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.58
CHRM1 P11229 1/20 0.58
CHRM3 P20309 1/20 0.58
TP53 P04637 2/20 0.55
CYP3A4 P08684 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.50
DHFR P00374 1/20 0.48
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
MAPK1 P28482 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TSHR P16473 2/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45

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
SCHEMBL6265743 0.85 KMT2A (0.56) CYP3A4SMN1; SMN2DHFRKDM4ETDP1
SCHEMBL8045885 0.85 CHRM2 (0.59) CHRM2CHRM1CHRM3TP53CYP3A4
SCHEMBL131598 0.83 TP53 (0.59) CHRM2CHRM1CHRM3TP53CYP3A4
SCHEMBL5247746 0.83 TP53 (0.59) CHRM2CHRM1CHRM3TP53CYP3A4
SCHEMBL31061915 0.83 TP53 (0.59) CHRM2CHRM1CHRM3TP53CYP3A4
SCHEMBL8036344 0.83 GGPS1 (0.55) DHFRTHRBTSHRCYP2D6LTA4H
Ammonia Solution, Strong SCHEMBL27668328 0.82 TP53 (0.57) CHRM2CHRM1CHRM3TP53CYP3A4
SCHEMBL6181647 0.81 CHRM2 (0.59) CHRM2CHRM1CHRM3TP53CYP3A4
SCHEMBL27351275 0.80 GGPS1 (0.63) DHFRTSHRCYP2D6
SCHEMBL6272092 0.80 GGPS1 (0.63) DHFRTSHRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180358655-A1 ADDITIVE FOR NON-AQUEOUS ELECTROLYTE, NON-AQUEOUS ELECTROLYTE, AND POWER STORAGE DEVICE SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2018-12-13 US disclosed
EP-3279995-A1 ADDITIVE FOR NON-AQUEOUS ELECTROLYTE, NON-AQUEOUS ELECTROLYTE, AND POWER STORAGE DEVICE Sumitomo Seika Chemicals CO. LTD. (JP) 2018-02-07 EP disclosed
US-9635857-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-02 US disclosed
US-20170117588-A1 ADDITIVE FOR NON-AQUEOUS ELECTROLYTE, NON-AQUEOUS ELECTROLYTE, AND POWER STORAGE DEVICE SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2017-04-27 US disclosed
EP-3131153-A1 ADDITIVE FOR NON-AQUEOUS ELECTROLYTE, NON-AQUEOUS ELECTROLYTE, AND POWER STORAGE DEVICE Sumitomo Seika Chemicals Co., Ltd. (JP) 2017-02-15 EP disclosed
US-20160235065-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-18 US disclosed
US-20090275779-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE BENZYLAMINE DERIVATIVE KANEKA CORPORATION (JP) 2009-11-05 US disclosed
EP-1942103-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE BENZYLAMINE DERIVATIVE Kaneka Corporation (JP) 2008-07-09 EP disclosed
US-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 US disclosed
CN-1284075-A Novel compounds having CGMP-PDE inhibitory effect MOCHIDA PHARM CO LTD (JP) 2001-02-14 CN disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP disclosed
US-6106999-A SENSITIVITY TO GENERAL-PURPOSE VISIBLE LIGHT LASER, SO THAT HIGH-SPEED SCANNING EXPOSURE IS POSSIBLE BY LASER, AND EXTREMELY FINE HIGH RESOLUTION CAN BE OBTAINED; CAN BE USED FOR COATING OR PRINTING UNDER SAFELIGHT IRRADIATING CONDITIONS MITSUI CHEMICALS (JP) 2000-08-22 US disclosed
US-4199499-A ANALGESICS ELI LILLY AND COMPANY (US) 1980-04-22 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 (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-20180358655-A1 ADDITIVE FOR NON-AQUEOUS ELECTROLYTE, NON-AQUEOUS ELECTROLYTE, AND POWER STORAGE DEVICE SLC9A1, SLC8A1, SLC9A2 CHRM2 751/4885CHRM1 312/4885CHRM3 1015/4885
US-20090275779-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE BENZYLAMINE DERIVATIVE SMS, SRM, ABHD5 CHRM2 2724/4885CHRM1 2141/4885CHRM3 2637/4885
US-20160235065-A1 TETRAZOLINONE COMPOUND AND USE THEREOF MRPS17, TAOK1, TAOK3 CHRM2 958/4885CHRM1 293/4885CHRM3 798/4885

“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.