SCHEMBL8639644

SCHEMBL8639644

CCC(=O)C1C(=O)CCCC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.37

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
Calcium SCHEMBL31193385 0.98 ALDH1A1 (0.45) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
Bicarbonate SCHEMBL8638060 0.95 ALDH1A1 (0.44) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL15255433 0.90 ALDH1A1 (0.43) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL10192810 0.84 HSD17B10 (0.52) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
Bicarbonate SCHEMBL10595835 0.81 HSD17B10 (0.48) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL4890407 0.79 ALDH1A1 (0.36) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL10192815 0.78 ALDH1A1 (0.42) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL535037 0.78 MCL1 (0.42) CYP1A2
SCHEMBL21197441 0.78 TSHR (0.53) ALDH1A1MAPTKDM4EPOLBTSHR
SCHEMBL7965133 0.76 ALDH1A1 (0.38) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0509562-B1 Plant growth regulating composition and method for regulating growth of a plant KUMIAI CHEMICAL INDUSTRY CO (JP) 1998-08-12 EP claimed
EP-0598404-B1 Plant growth regulator composition KUMIAI CHEMICAL INDUSTRY CO (JP) 1998-08-05 EP claimed
EP-0344533-B1 Plant growth regulating composition and method for regulating growth of a plant KUMIAI CHEMICAL INDUSTRY CO (JP) 1993-12-08 EP claimed
EP-0123001-B1 NEW CYCLOHEXANE DERIVATIVES HAVING PLANT-GROWTH REGULATING ACTIVITIES, AND USES OF THESE DERIVATIVES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1990-04-25 EP claimed
US-11835480-B2 Device for detecting insect larvae and adult insects in stored products by sensing their volatile pheromones and semiochemicals Sensor Development Corporation (US) 2023-12-05 US disclosed
CN-112225682-B Method for improving reaction speed of synthesizing clethodim 中国科学院大连化学物理研究所 2022-02-25 CN disclosed
US-20190234895-A1 DEVICE FOR DETECTING INSECT LARVAE AND ADULT INSECTS IN STORED PRODUCTS BY SENSING THEIR VOLATILE PHEROMONES AND SEMIOCHEMICALS Sensor Development Corporation 2019-08-01 US disclosed
US-8735386-B2 Aminopyrazoloquinazolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-27 US disclosed
US-8735386-B2 Aminopyrazoloquinazolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-27 US disclosed
US-20120238542-A1 AMINOPYRAZOLOQUINAZOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-20 US disclosed
US-20120238542-A1 AMINOPYRAZOLOQUINAZOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-20 US disclosed
WO-2012010704-A1 NEW AMINOPYRAZOLOQUINAZOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-26 WO disclosed
EP-0186117-B1 PROCESS FOR THE PRODUCTION OF ACYLATED DIKETONIC COMPOUNDS STAUFFER CHEMICAL COMPANY (US) 1990-11-22 EP disclosed
EP-0331422-A2 Method of preparing 2-acylresorcinols MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-09-06 EP disclosed
US-4695673-A Process for the production of acylated 1,3-dicarbonyl compounds STAUFFER CHEMICAL COMPANY (US) 1987-09-22 US disclosed
EP-0186117-A2 Process for the production of acylated diketonic compounds STAUFFER CHEMICAL COMPANY (US) 1986-07-02 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 (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-20120238542-A1 AMINOPYRAZOLOQUINAZOLINES CCNT1, CCNI, MKI67 ALDH1A1 401/4885MAPT 3841/4885CYP1A2 177/4885

“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.