SCHEMBL2329786

SCHEMBL2329786

Cc1ccccc1C1=CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.45
F2RL1 P55085 1/20 0.40
PSMB5 P28074 5/20 0.38
GRM2 Q14416 1/20 0.38
CXCR5 P32302 1/20 0.37
PSMB1 P20618 1/20 0.37
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
TSHR P16473 1/20 0.36
ACHE P22303 1/20 0.36
NISCH Q9Y2I1 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GALR1 P47211 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL10595822 0.94 PTGS2 (0.51) PTGS2F2RL1PSMB5CXCR5PSMB1
SCHEMBL28618746 0.92 PTGS2 (0.46) PTGS2F2RL1PSMB5GRM2CXCR5
SCHEMBL10626472 0.89 PTGS2 (0.42) PTGS2F2RL1PSMB5GRM2CXCR5
SCHEMBL27895715 0.85 TSHR (0.41) NPC1CASP3RAB9ASMN1; SMN2SENP8
SCHEMBL28758944 0.84 PTGS2 (0.51) PTGS2F2RL1PSMB5GRM2TDP1
SCHEMBL10950642 0.79 PTGS2 (0.45) PTGS2PSMB5CXCR5PSMB1TDP1
SCHEMBL11815728 0.78 PTGS2 (0.59) PTGS2F2RL1PSMB5GRM2PSMB1
SCHEMBL14704898 0.77 HTR7 (0.45) NISCH
SCHEMBL5252887 0.76 PSMB5 (0.50) PTGS2PSMB5GRM2PSMB1TDP1
SCHEMBL27602950 0.76 NPC1 (0.34) PTGS2NPC1CASP3RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113122054-A Preparation method of ink and quantum dot film TCL集团股份有限公司 2021-07-16 CN claimed
CN-103848722-B Produce the method for phenol EXXON CHEMICAL PATENTS INC. (US) 2016-05-25 CN claimed
CN-103848722-A Process for producing phenol EXXONMOBIL CHEM PATENTS INC 2014-06-11 CN claimed
US-9458074-B2 Process for producing phenol EXXONMOBIL CHEMICAL PATENTS INC. (US) 2016-10-04 US disclosed
CN-104271539-B Method for hydrogenation 埃克森美孚化学专利公司 2016-08-24 CN disclosed
CN-103848722-B Produce the method for phenol EXXON CHEMICAL PATENTS INC. (US) 2016-05-25 CN disclosed
CN-103848722-B Produce the method for phenol EXXON CHEMICAL PATENTS INC. (US) 2016-05-25 CN disclosed
EP-2819976-A1 PROCESS FOR PRODUCING PHENOL COMPRISING A STEP OF HYDROALKYLATION OF BENZENE TO CYCLOHEXYLBENZENE ExxonMobil Chemical Patents Inc. (US) 2015-01-07 EP disclosed
CN-103848722-A Process for producing phenol EXXONMOBIL CHEM PATENTS INC 2014-06-11 CN disclosed
US-8658834-B2 Hydrogenation process EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-02-25 US disclosed
WO-2013130151-A1 PROCESS FOR PRODUCING PHENOL COMPRISING A STEP OF HYDROALKYLATION OF BENZENE TO CYCLOHEXYLBENZENE EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-09-06 WO disclosed
EP-2534119-A1 HYDROGENATION PROCESS Exxonmobil Chemical Patents Inc. (US) 2012-12-19 EP disclosed
US-20120277472-A1 Hydrogenation Process EXXONMOBIL CHEMICAL PATENTS INC. 2012-11-01 US disclosed
WO-2011100013-A1 HYDROGENATION PROCESS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-08-18 WO 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-20120277472-A1 Hydrogenation Process HPD, CYP8B1, HAO2 PTGS2 608/4885F2RL1 3494/4885PSMB5 458/4885

“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.