SCHEMBL327084

SCHEMBL327084

CCc1c(C)cc(C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.41
RAPGEF4 Q8WZA2 4/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
KMT2A Q03164 2/20 0.36
NOS3 P29474 2/20 0.36
NOS2 P35228 2/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.33
PKM P14618 1/20 0.33
MPI P34949 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL18966864 0.84 KMT2A (0.40) HRH3RAPGEF4ALDH1A1KDM4ECYP11B1
SCHEMBL2776485 0.82 SELL (0.46) HRH3ALDH1A1KDM4ECYP11B1CYP11B2
SCHEMBL30979268 0.82 SELL (0.46) HRH3ALDH1A1KDM4ECYP11B1CYP11B2
SCHEMBL25162110 0.82 ALDH1A1 (0.48) HRH3RAPGEF4ALDH1A1KDM4ECYP11B1
SCHEMBL13236569 0.82 TSHR (0.43) HRH3RAPGEF4ALDH1A1KDM4ECYP11B1
SCHEMBL23189364 0.82 RAPGEF4 (0.38) HRH3RAPGEF4ALDH1A1KDM4ECYP11B1
SCHEMBL13236292 0.82 HRH3 (0.35) HRH3RAPGEF4ALDH1A1KDM4ECYP11B1
SCHEMBL18570653 0.79 PTGS2 (0.37) RAPGEF4HTR1DNOS3NOS2CYP1A2
SCHEMBL10755095 0.78 ACHE (0.48) KDM4EMAPT
SCHEMBL29954130 0.78 HRH3 (0.37) HRH3RAPGEF4ALDH1A1KDM4ECYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119032974-A Thrips control agent and preparation method thereof 广西壮族自治区农业科学院 2024-11-29 CN claimed
EP-0192492-B1 PEPTIDES CONTAINING AN ALIPHATIC-AROMATIC KETONE SIDE CHAIN THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1992-01-02 EP claimed
US-12540073-B2 Heterogeneous hydrogen-catalyst solid fuel reaction mixture and reactor BRILLIANT LIGHT POWER, INC. (US) 2026-02-03 US disclosed
CN-119032974-A Thrips control agent and preparation method thereof 广西壮族自治区农业科学院 2024-11-29 CN disclosed
CN-118547298-A Method for electrochemical reduction of aryl alkene and alkyne 中国科学院大连化学物理研究所 2024-08-27 CN disclosed
US-20230045778-A9 HETEROGENEOUS HYDROGEN-CATALYST SOLID FUEL REACTION MIXTURE AND REACTOR BRILLIANT LIGHT POWER, INC. (US) 2023-02-09 US disclosed
EP-3538528-B1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-12-23 EP disclosed
US-20200299130-A1 HETEROGENEOUS HYDROGEN-CATALYST REACTOR BRILLIANT LIGHT POWER, INC. (US) 2020-09-24 US disclosed
CN-105916899-B Optics of liquids adhesive composition 3M创新有限公司 2019-01-18 CN disclosed
US-20170101369-A1 SULFONAMIDE COMPOUNDS AND THEIR USE AS STAT5 INHIBITORS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2017-04-13 US disclosed
CN-104193725-B Organic compound 诺华股份有限公司 2016-11-16 CN disclosed
EP-0436902-A1 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-07-17 EP disclosed
US-4983609-A Anticancer agents OTSUKA PHARMACEUTICAL (JP) 1991-01-08 US disclosed
US-4864021-A ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
EP-0323441-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP disclosed
US-4677193-A GONADOTROPIN-RELEASING FACTOR ANALOGS THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1987-06-30 US disclosed
EP-0192492-A2 Peptides containing an aliphatic-aromatic ketone side chain THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1986-08-27 EP disclosed
US-4596671-A Organoleptics INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1986-06-24 US disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 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-12540073-B2 Heterogeneous hydrogen-catalyst solid fuel reaction mixture and reactor SCO2, SOD1, HAO2 HRH3 273/4885RAPGEF4 4452/4885ALDH1A1 3874/4885
US-20170101369-A1 SULFONAMIDE COMPOUNDS AND THEIR USE AS STAT5 INHIBITORS STAT5A, STAT5B, JAK2 HRH3 2915/4885RAPGEF4 3012/4885ALDH1A1 3453/4885

“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.