SCHEMBL2208136

SCHEMBL2208136

O=C(O)C(O)(C(=O)O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.54
CYP2C9 P11712 2/20 0.48
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 5/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP2C19 P33261 2/20 0.43
KCNN4 O15554 2/20 0.43
HIF1A Q16665 1/20 0.43
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL10880212 0.85 CYP1A2 (0.46) CYP1A2CYP2C9KEAP1NFE2L2CYP2D6
SCHEMBL2372942 0.85 CYP1A2 (0.46) CYP1A2CYP2C9KEAP1NFE2L2CYP2D6
SCHEMBL2371928 0.85 CYP1A2 (0.46) CYP1A2CYP2C9KEAP1NFE2L2CYP2D6
SCHEMBL11136988 0.85 CYP1A2 (0.46) CYP1A2CYP2C9KEAP1NFE2L2CYP2D6
SCHEMBL11006416 0.85 MAPT (0.54) CYP1A2CYP2C9KEAP1NFE2L2CYP2D6
SCHEMBL16384453 0.85 MAPT (0.48) CYP1A2CYP2C9KEAP1NFE2L2CYP2D6
SCHEMBL378835 0.85 CYP1A2 (0.46) CYP1A2CYP2C9KEAP1NFE2L2CYP2D6
Putrescine SCHEMBL10612802 0.85 KIF11 (0.48) CYP1A2CYP2D6MAPTKMT2ATSHR
SCHEMBL7196195 0.84 CES1 (0.50) CYP1A2CYP2C9KEAP1NFE2L2CYP2D6
Methylamine SCHEMBL11005397 0.82 MAPT (0.55) CYP1A2CYP2C9KEAP1NFE2L2CYP2D6

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
EP-0118833-B1 SUBSTITUTED DIAMIDES OF PHENYLHYDROXY-THIOMALONIC ACIDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 1986-04-02 EP claimed
JP-55000347-A None JP disclosed
EP-2785679-B1 MANDELIC ACID CONDENSATION POLYMERS UNIV RUSH MEDICAL CENTER (US) 2019-01-09 EP disclosed
CN-107266306-A Process for preparing (2, 4-dimethylbiphenyl-3-yl) acetic acid, esters thereof and intermediate compounds 拜耳知识产权有限责任公司 2017-10-20 CN disclosed
US-20170143757-A1 MANDELIC ACID CONDENSATION POLYMERS UNIV RUSH MEDICAL CENTER (US) 2017-05-25 US disclosed
CN-103980109-B Process for preparing (2, 4-dimethylbiphenyl-3-yl) acetic acid, esters thereof and intermediate compounds 拜尔农作物科学股份公司 2017-05-03 CN disclosed
US-9527793-B2 Mandelic acid condensation polymers THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-12-27 US disclosed
US-20140371310-A1 MANDELIC ACID CONDENSATION POLYMERS RUSH UNIVERSITY MEDICAL CENTER 2014-12-18 US disclosed
EP-2785679-A1 MANDELIC ACID CONDENSATION POLYMERS Rush University Medical Center (US) 2014-10-08 EP disclosed
US-8664428-B2 Method for producing (2,4-dimethylbiphenyl-3-yl)acetic acids, the esters thereof and intermediate compounds BAYER CROPSCIENCE AG (DE) 2014-03-04 US disclosed
EP-0363034-B1 Polycyclic dyes ZENECA LTD (GB) 1995-01-04 EP disclosed
CN-1091633-A Use aryl-, heteroaryl-and alkyltartronic acids as therapeutic agent DOMPE FRAMACEUTICI S P A (IT) 1994-09-07 CN disclosed
EP-0605404-A2 Polycyclic dyes ZENECA LIMITED (GB) 1994-07-06 EP disclosed
US-5212313-A For polyester IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-05-18 US disclosed
US-5084580-A Aniline dyes for polyester fabrics to give green and blue color IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-28 US disclosed
EP-0363034-A2 Polycyclic dyes ZENECA LIMITED (GB) 1990-04-11 EP disclosed
US-4698333-A Use of substituted malonic acid derivatives as agents for combating pests BAYER AKTIENGESELLSCHAFT (DE) 1987-10-06 US disclosed
US-4562185-A INSECTICIDES; MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1985-12-31 US disclosed
EP-0061219-A1 p-Hydroxyphenylmalonic acid derivatives and process for their preparation Océ-Andeno B.V. (NL) 1982-09-29 EP disclosed
JP-S55347-A SYNTHETIC INTERMEDIATE FOR CEPHALOSPORIN ANALOGUE SHIONOGI & CO LTD 1980-01-05 JP 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-20140371310-A1 MANDELIC ACID CONDENSATION POLYMERS MSN, CHIA, CDC37 CYP1A2 3512/4885CYP2C9 2519/4885KEAP1 1849/4885
US-20170143757-A1 MANDELIC ACID CONDENSATION POLYMERS MSN, CHIA, CDC37 CYP1A2 3512/4885CYP2C9 2519/4885KEAP1 1849/4885

“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.