SCHEMBL434877

SCHEMBL434877

COc1ccc2[nH]cc(C)c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.64
HTR2B P41595 5/20 0.60
CYP1A2 P05177 3/20 0.60
ALDH1A1 P00352 2/20 0.60
CYP2C19 P33261 1/20 0.60
HTR2A P28223 6/20 0.57
HTR2C P28335 5/20 0.57
MAPT P10636 3/20 0.57
HTR1A P08908 3/20 0.57
TSHR P16473 2/20 0.57
CYP2D6 P10635 2/20 0.57
HTR1D P28221 2/20 0.57
HTR1B P28222 2/20 0.57
HTR7 P34969 2/20 0.57
HTR6 P50406 2/20 0.57
HTR4 Q13639 2/20 0.57
NFKB1 P19838 1/20 0.57
TRPM8 Q7Z2W7 1/20 0.57
NR4A2 P43354 1/20 0.57
KDM4E B2RXH2 2/20 0.57

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
SCHEMBL736956 1.00 GPR84 (0.64) GPR84HTR2BCYP1A2ALDH1A1CYP2C19
SCHEMBL1120777 0.85 KDM4E (0.60) GPR84HTR2BCYP1A2ALDH1A1CYP2C19
SCHEMBL5432612 0.82 GPR84 (0.66) GPR84HTR2BCYP1A2ALDH1A1CYP2C19
SCHEMBL3629976 0.81 HTR2B (0.65) GPR84HTR2BCYP1A2ALDH1A1CYP2C19
SCHEMBL28337310 0.81 GPR84 (0.64) GPR84HTR2BCYP1A2ALDH1A1CYP2C19
SCHEMBL23259474 0.80 HTR1B (0.52) GPR84HTR2BCYP1A2CYP2C19HTR2A
SCHEMBL6290566 0.79 GPR84 (0.62) GPR84HTR2BCYP1A2ALDH1A1CYP2C19
SCHEMBL21256024 0.79 GPR84 (0.62) GPR84HTR2BCYP1A2ALDH1A1CYP2C19
SCHEMBL21623872 0.79 GPR84 (0.62) GPR84HTR2BCYP1A2ALDH1A1CYP2C19
SCHEMBL4475932 0.79 GPR84 (0.62) GPR84HTR2BCYP1A2ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110845547-B Chiral bidentate ligand, catalyst, preparation method and application thereof 江苏医药职业学院 2021-11-12 CN claimed
CN-110845547-A Chiral bidentate ligand, catalyst, preparation method and application thereof 江苏医药职业学院 2020-02-28 CN claimed
EP-1486207-A2 Sulfonated amino acid derivatives and metalloproteinase inhibitors containing the same SHIONOGI & CO., LTD. (JP) 2004-12-15 EP claimed
US-20030225043-A1 Sulfonated amino acid derivatives and metalloproteinase inhibitors containing the same SHIONOGI & CO., LTD. 2003-12-04 US claimed
US-20030139379-A1 Sulfonated amino acid derivatives and metalloproteinase inhibitors containing the same SHIONOGI & CO., LTD. 2003-07-24 US claimed
EP-0950656-A1 SULFONATED AMINO ACID DERIVATIVES AND METALLOPROTEINASE INHIBITORS CONTAINING THE SAME SHIONOGI & CO., LTD. (JP) 1999-10-20 EP claimed
US-4199512-A Compounds for alleviating hypertension E. R. SQUIBB & SONS, INC. (US) 1980-04-22 US claimed
US-20250195471-A1 ASYMMETRIC ALLYL TRYPTAMINES ALEXANDER SHULGIN RES INSTITUTE INC (US) 2025-06-19 US disclosed
US-12239632-B2 Asymmetric allyl tryptamines ALEXANDER SHULGIN RESEARCH INSTITUTE, INC. (US) 2025-03-04 US disclosed
US-20240277665-A1 ASYMMETRIC ALLYL TRYPTAMINES ALEXANDER SHULGIN RESEARCH INSTITUTE, INC. 2024-08-22 US disclosed
WO-2024158872-A1 1,3-INDOLE-PROPANAMIDE INHIBITORS OF SARS-COV-2 PLPRO/NSP3 AND DERIVATIVES THEREOF THE ROCKEFELLER UNIVERSITY (US) 2024-08-02 WO disclosed
EP-4396162-A2 ASYMMETRIC ALLYL TRYPTAMINES Alexander Shulgin Research Institute, Inc. (US) 2024-07-10 EP disclosed
EP-3405477-B1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-06-07 EP disclosed
US-4294757-A BLEACHING CELLULOSE FIBERS AND ADDITION OF ALKALI METAL POLYPHOSPHATES AND ALKALI METAL DIETHYLENETRIAMINE PENTA(METHYLENE PHOSPHONAT) TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1981-10-13 US disclosed
US-4260608-A ANTIMICROBIAL, ANTIMITOTIC, AND ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-04-07 US disclosed
US-4256746-A ANTITUMOR AGENTS; MICROBIOCIDES; MITOSIS TAKEDA CHEMICAL INDUSTRIES (JP) 1981-03-17 US disclosed
EP-0014402-A1 Novel 20-0-acylmaytansinoids, process for their preparation and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1980-08-20 EP disclosed
EP-0011276-A1 Maytansinoids, their production and use Takeda Chemical Industries, Ltd. (JP) 1980-05-28 EP disclosed
EP-0011277-A1 Dechloromaytansinoids, their production and use and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1980-05-28 EP disclosed
EP-0004466-A1 Demethyl maytansinoids and methods for producing them Takeda Chemical Industries, Ltd. (JP) 1979-10-03 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 (5 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-12239632-B2 Asymmetric allyl tryptamines TPH2, TPH1, HTR2A GPR84 196/4885HTR2B 19/4885CYP1A2 351/4885
US-20250195471-A1 ASYMMETRIC ALLYL TRYPTAMINES TPH2, TPH1, HTR2A GPR84 196/4885HTR2B 19/4885CYP1A2 351/4885
US-20030139379-A1 Sulfonated amino acid derivatives and metalloproteinase inhibitors containing the same MMP9, MMP2, MMP1 GPR84 2375/4885HTR2B 3070/4885CYP1A2 1462/4885
US-20240277665-A1 ASYMMETRIC ALLYL TRYPTAMINES TPH2, TPH1, HTR2A GPR84 196/4885HTR2B 19/4885CYP1A2 351/4885
US-20030225043-A1 Sulfonated amino acid derivatives and metalloproteinase inhibitors containing the same MMP9, MMP2, MMP1 GPR84 2375/4885HTR2B 3070/4885CYP1A2 1462/4885

“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.