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 SCHEMBL2059470 0.75 TSHR (0.62) CYP2C19TSHRPOLBSMN1; SMN2RAB9A
Toluene SCHEMBL8444299 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.

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