SCHEMBL29370486

SCHEMBL29370486

CC1=Cc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.46
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
ACHE P22303 2/20 0.42
CYP11B2 P19099 2/20 0.41
CYP11B1 P15538 1/20 0.41
TRPA1 O75762 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
GPR84 Q9NQS5 1/20 0.37
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
CYP1A2 P05177 1/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL319633 1.00 PTGS2 (0.46) PTGS2MAOBMAOAACHECYP11B2
SCHEMBL8737400 0.97 PTGS2 (0.44) PTGS2MAOBMAOAACHECYP11B2
Bromide SCHEMBL31108155 0.97 PTGS2 (0.44) PTGS2MAOBMAOAACHECYP11B2
Lithium SCHEMBL29594699 0.97 PTGS2 (0.44) PTGS2MAOBMAOAACHECYP11B2
Hydrochloric Acid SCHEMBL8319749 0.95 PTGS2 (0.43) PTGS2MAOBMAOAACHECYP11B2
Hydrochloric Acid SCHEMBL8030722 0.95 CYP11B2 (0.43) PTGS2MAOBMAOAACHECYP11B2
Hydrochloric Acid SCHEMBL7076887 0.95 CYP11B2 (0.43) PTGS2MAOBMAOAACHECYP11B2
SCHEMBL7082648 0.81 PTGS2 (0.38) PTGS2MAOBMAOAACHECYP11B2
SCHEMBL29594499 0.80 KDM1A (0.46) PTGS2MAOBCYP11B2CYP11B1GPR84
SCHEMBL5029738 0.80 KDM1A (0.46) PTGS2MAOBCYP11B2CYP11B1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240343750-A1 Metallocene Catalyst Compounds for Producing Polyolefins EXXONMOBIL TECHNOLOGY & ENGINEERING COMPANY (US) 2024-10-17 US disclosed
US-11802170-B2 Polyolefins prepared with binuclear metallocene catalysts EXXONMOBIL CHEMICAL PATENTS INC. (US) 2023-10-31 US disclosed
WO-2023191721-A2 PRODUCTION OF ENANTIOPURE ALCOHOLS, AMINES AND ACIDS FROM ALKENES BY CASCADE BIOTRANSFORMATION INVOLVING 1,2-METHYL SHIFT NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-10-05 WO disclosed
US-20220372178-A1 Polyolefins Prepared with Binuclear Metallocene Catalysts EXXONMOBIL CHEMICAL PATENTS INC. 2022-11-24 US disclosed
US-11492425-B2 Metallocene catalyst compositions and polymerization process therewith EXXONMOBIL CHEMICAL PATENTS INC. (US) 2022-11-08 US disclosed
US-11339234-B2 Propylene random copolymer LG CHEM, LTD. 2022-05-24 US disclosed
WO-2022070758-A1 TRANSPARENT ARTICLE ポリプラスチックス株式会社 2022-04-07 WO disclosed
WO-2022024549-A1 METHOD FOR PRODUCING CYCLOOLEFIN COPOLYMER ポリプラスチックス株式会社 2022-02-03 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 (4 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-11802170-B2 Polyolefins prepared with binuclear metallocene catalysts C1S, C9, C5 PTGS2 3793/4885MAOB 1549/4885MAOA 2170/4885
US-11492425-B2 Metallocene catalyst compositions and polymerization process therewith TERT, MDM4, PCBP1 PTGS2 2131/4885MAOB 2412/4885MAOA 2063/4885
US-20240343750-A1 Metallocene Catalyst Compounds for Producing Polyolefins MLX, TSNAX, TXLNA PTGS2 1980/4885MAOB 1809/4885MAOA 296/4885
US-11339234-B2 Propylene random copolymer PRUNE1, PIP5K1A, PIP5K1C PTGS2 232/4885MAOB 4276/4885MAOA 4351/4885

“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.