SCHEMBL459194

SCHEMBL459194

Cc1ccc(CO)cc1.Cc1cccc(CO)c1.Cc1ccccc1CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
CYP2C19 P33261 2/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.39
MAP2K4 P45985 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
IDO1 P14902 1/20 0.38
EGFR P00533 1/20 0.37
CSF1R P07333 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 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
SCHEMBL9512965 0.94 GAA (0.44) GAACYP2C19TSHRCYP3A4CYP2D6
SCHEMBL10735 0.79
SCHEMBL8993034 0.78 TAAR1 (0.41) MAP2K4TAAR1IDO1
SCHEMBL4453879 0.78 CXCR4 (0.47) CYP2C19TSHRCYP3A4CYP2D6CYP1A2
Ammonia Solution, Strong SCHEMBL28623820 0.77 TAAR1 (0.54) CYP2C19TSHRCYP3A4CYP1A2POLB
O-Xylene SCHEMBL28633528 0.77 TSHR (0.52) TSHRCYP1A2POLBMAP2K4TAAR1
SCHEMBL377006 0.76 POLB (0.43) GAACYP2C19TSHRCYP3A4CYP2D6
SCHEMBL2094961 0.76 TAAR1 (0.48) GAACYP2C19TSHRCYP3A4CYP2D6
Toluene SCHEMBL1434902 0.75 TSHR (0.62) CYP2C19TSHRPOLBSMN1; SMN2RAB9A
Toluene SCHEMBL10600522 0.75 TSHR (0.62) CYP2C19TSHRPOLBSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2716671-B1 PHENOLIC RESIN AND MATERIAL FOR FORMING UNDERLAYER FILM FOR LITHOGRAPHY MITSUBISHI GAS CHEMICAL CO (JP) 2018-10-10 EP claimed
US-9110373-B2 Phenolic resin and material for forming underlayer film for lithography MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-08-18 US claimed
US-20140186776-A1 PHENOLIC RESIN AND MATERIAL FOR FORMING UNDERLAYER FILM FOR LITHOGRAPHY MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-07-03 US claimed
EP-0621897-B1 PROCESS FOR PREPARING LIGNOLYTIC ENZYMES BY MEANS OF WHITE ROT FUNGI LIGNOZYM GMBH (DE) 1997-05-14 EP claimed
US-5403723-A Process for the production of lignolytic enzymes by means of white rot fungi LIGNOZYM GESELLSCHAFT ZUR HERSTELLUNG UND ZUM VERTRIEB VON ENZYMEN MBH (DE) 1995-04-04 US claimed
US-11780787-B2 Method for conversion of diols to olefin products UT-BATTELLE, LLC (US) 2023-10-10 US disclosed
US-20230242464-A1 METHOD FOR CONVERSION OF DIOLS TO OLEFIN PRODUCTS UT BATTELLE LLC (US) 2023-08-03 US disclosed
CN-115920934-A Preparation method of niobium phosphate catalyst and application of niobium phosphate catalyst in high-density fuel synthesis 天津大学 2023-04-07 CN disclosed
CN-115677445-A Process and system embodiments for converting ethanol to para-xylene and ortho-xylene 巴特尔纪念研究院 2023-02-03 CN disclosed
CN-110719805-B Air filter comprising polymeric adsorbent for aldehyde 3M创新有限公司 2022-12-27 CN disclosed
CN-109752476-B Calixarene derivative stationary phase, capillary gas chromatographic column, preparation and application thereof 沈阳工业大学 2021-04-09 CN disclosed
CN-110719805-A Air filter comprising polymeric adsorbent for aldehyde 3M创新有限公司 2020-01-21 CN disclosed
WO-1993008272-A1 PROCESS FOR PREPARING LIGNOLYTIC ENZYMES BY MEANS OF WHITE ROT FUNGI LIGNOZYM GESELLSCHAFT ZUR HERSTELLUNG UND ZUM VERTRIEB VON ENZYMEN MBH (DE) 1993-04-29 WO disclosed
EP-0206950-B1 PROCESS FOR THE PREPARATION OF PERFLUOROALKYL ALCOHOLS RHONE-POULENC CHIMIE (FR) 1990-08-22 EP disclosed
US-4701569-A PERFLUOROALKYLATION OF CARBONYL COMPOUNDS IN PRESENCE OF ZINC IN ABSENCE OF ULTRASONIC WAVES RHONE-POULENC SPECIALTIES CHIMIQUES (FR) 1987-10-20 US disclosed
EP-0206950-A1 Process for the preparation of perfluoroalkyl alcohols RHONE-POULENC CHIMIE (FR) 1986-12-30 EP disclosed
EP-0012570-B1 SELECTIVE REACTION OF 1,4-DISUBSTITUTED BENZENE COMPOUNDS MOBIL OIL CORPORATION (US) 1983-10-12 EP disclosed
US-4371721-A ZEOLITES, CATALYSTS MOBIL OIL CORPORATION (US) 1983-02-01 US disclosed
US-4224417-A REACTION OF AMINO GROUPS WITH ISOCYANATES TO FORM UREA LINKAGES BAYER AKTIENGESELLSCHAFT (DE) 1980-09-23 US disclosed
EP-0012570-A2 Selective reaction of 1,4-disubstituted benzene compounds MOBIL OIL CORPORATION (US) 1980-06-25 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-20230242464-A1 METHOD FOR CONVERSION OF DIOLS TO OLEFIN PRODUCTS DUOX1, HMOX1, HAO2 GAA 4388/4885CYP2C19 603/4885TSHR 1626/4885
US-11780787-B2 Method for conversion of diols to olefin products DUOX1, HMOX1, HAO2 GAA 4388/4885CYP2C19 603/4885TSHR 1626/4885

“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.