SCHEMBL2134657

SCHEMBL2134657

[CH2][PH](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
TSHR P16473 6/20 0.33
DPP4 P27487 2/20 0.33
TRPA1 O75762 1/20 0.33
F2 P00734 1/20 0.33
HTR2A P28223 2/20 0.32
HRH1 P35367 1/20 0.32
TDP1 Q9NUW8 3/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA12 O43570 1/20 0.32
GLA P06280 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA14 Q9ULX7 1/20 0.32
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32
ACHE P22303 1/20 0.32
CA7 P43166 1/20 0.32

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
SCHEMBL28945492 0.73 TSHR (0.35) ALDH1A1TSHRTRPA1CA4LMNA
SCHEMBL1402206 0.71 MAPT (0.37) ALDH1A1TSHRDPP4F2HTR2A
SCHEMBL26674 0.69 ALDH1A1 (0.40) ALDH1A1TSHRTDP1CA1CA2
SCHEMBL28748541 0.69 ALDH1A1 (0.40) ALDH1A1TSHRTDP1CA1CA2
SCHEMBL5028588 0.69 ALDH1A1 (0.40) ALDH1A1TSHRHTR2AHRH1TDP1
SCHEMBL11176427 0.67 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL126345 0.67 CA4 (0.41) ALDH1A1TSHRTRPA1TDP1CA1
SCHEMBL2511520 0.67 ALDH1A1 (0.38) ALDH1A1TSHRTDP1CA1CA2
SCHEMBL8881696 0.67 ALDH1A1 (0.38) ALDH1A1TSHRTRPA1TDP1CA1
Phosphine SCHEMBL20701190 0.67 ALDH1A1 (0.38) ALDH1A1TSHRTDP1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1301672-A None JP disclosed
EP-4290637-A1 METAL M-AIR BATTERY CELL COMPRISING AN ORGANIC MULTI REDOX MEDIATOR COMPOUND AS SOLUBLE ORGANIC CATALYST TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2023-12-13 EP disclosed
CN-109627162-B Process for preparing (7E) -7, 9-decanedioic acid esters 信越化学工业株式会社 2022-11-15 CN disclosed
CN-109219612-A Prepare 17 (20)-alkene B- open loop steroids method and intermediate 帕西昂奥地利有限两合公司 2019-01-15 CN disclosed
US-9463187-B2 Methylphenidate derivatives and uses of them AMPIO PHARMACEUTICALS, INC. (US) 2016-10-11 US disclosed
CN-103842396-B Active energy ray-curable resin composition, method for producing same, coating material, coating film, and film DIC CORP. (JP) 2016-03-16 CN disclosed
CN-102827087-B Synthetic method of erlotinib CHENGDU INST BIOLOGY CAS 2015-03-25 CN disclosed
CN-103842396-A Active energy ray-curable resin composition, method for producing same, coating material, coating film, and film DAINIPPON INK & CHEMICALS 2014-06-04 CN disclosed
CN-102827087-A Synthetic method of erlotinib CHENGDU INST BIOLOGY CAS 2012-12-19 CN disclosed
US-20120101129-A1 Methylphenidate Derivatives and Uses of Them AMPIO PHARMACEUTICALS, INC. 2012-04-26 US disclosed
CN-1092409-A The compound that is used for the treatment of leukotriene-related disease SMITHKLINE BEECHAM CORP (US) 1994-09-21 CN disclosed
CN-1073431-A The compound that is used for the treatment of leukotriene-related disease SMITHRLINE BEECHAM CORP (US) 1993-06-23 CN disclosed
US-5011739-A Moisture stable biasable transfer members and method for making same EASTMAN KODAK COMPANY (US) 1991-04-30 US disclosed
EP-0421299-A2 Moisture stable biasable transfer members and method for making same EASTMAN KODAK COMPANY (US) 1991-04-10 EP disclosed
JP-H01301672-A SPIROOCTAHYDRONAPHTHALENES, NOVEL INTERMEDIATE THEREOF AND PRODUCTION OF SAID NAPHTHALENES AND INTERMEDIATE T HASEGAWA CO LTD 1989-12-05 JP disclosed
EP-0227472-B1 10 BETA-ALKYNYLESTRENE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1989-10-18 EP disclosed
US-4808578-A ANTICARCINOGENIC AGENTS FARMITALIA CARLO ERBA S. R. L. (IT) 1989-02-28 US disclosed
EP-0227472-A1 10 Beta-alkynylestrene derivatives and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1987-07-01 EP disclosed
US-4661590-A BACTERICIDES BRISTOL-MYERS COMPANY (US) 1987-04-28 US disclosed
US-4520022-A BACTERIAL INFECTION IN MAMMALS BRISTOL-MYERS COMPANY (US) 1985-05-28 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 (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-20120101129-A1 Methylphenidate Derivatives and Uses of Them SLC6A3, COMT, UGT1A1 ALDH1A1 335/4885TSHR 827/4885DPP4 873/4885

“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.