SCHEMBL7701905

SCHEMBL7701905

CCC(=O)c1ccc(C)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
HTT P42858 3/20 0.52
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 2/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
HPGD P15428 3/20 0.47
TSHR P16473 2/20 0.47

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
SCHEMBL13622409 0.84 LMNA (0.56) ALDH1A1MAPK1SMN1; SMN2HTTCES2
SCHEMBL14982190 0.84 LMNA (0.49) ALDH1A1MAPK1SMN1; SMN2HTTCES2
SCHEMBL5565698 0.83 HSD17B3 (0.57) ALDH1A1MAPK1SMN1; SMN2HTTCES2
SCHEMBL5300509 0.83 ATM (0.47) ALDH1A1MAPK1SMN1; SMN2HTTMEN1
SCHEMBL14357333 0.83 HPGD (0.50) ALDH1A1MAPK1SMN1; SMN2HTTMEN1
SCHEMBL7049792 0.83 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL5186624 0.83 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL3899593 0.83 HTT (0.52) ALDH1A1SMN1; SMN2HTTCES2CES1
SCHEMBL7049515 0.82 MAPT (0.66) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL770793 0.82 CHRNA1 (0.47) ALDH1A1MAPK1SMN1; SMN2HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-10-13 US disclosed
WO-2022104049-A1 SYNTHESIS OF ARYL 1-(METHOXYMETHYL) VINYL KETONES AND THEIR USE AS INHIBITORS OF MILD STEEL CORROSION SAUDI ARABIAN OIL COMPANY (SA) 2022-05-19 WO disclosed
US-20220145179-A1 SYNTHESIS OF ARYL 1-(METHOXYMETHYL) VINYL KETONES AND THEIR USE AS INHIBITORS OF MILD STEEL CORROSION SAUDI ARABIAN OIL COMPANY (SA) 2022-05-12 US disclosed
CN-112010881-B Alkenyl boron compound and preparation method and application thereof 中国科学院兰州化学物理研究所 2021-09-03 CN disclosed
EP-3793559-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-03-24 EP disclosed
CN-112469412-A Substituted dihydropyrazolopyrazine carboxamide derivatives 拜耳公司 2021-03-09 CN disclosed
CN-112010881-A Alkenyl boron compound and preparation method and application thereof 中国科学院兰州化学物理研究所 2020-12-01 CN disclosed
US-9988350-B2 Aniline derivative, pharmaceutical composition containing same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2018-06-05 US disclosed
US-20170320821-A1 NOVEL ANILINE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2017-11-09 US disclosed
US-9718771-B2 Aniline derivative, pharmaceutical composition containing same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2017-08-01 US disclosed
US-5057535-A Muscle relaxants NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1991-10-15 US disclosed
EP-0328669-A1 CHALCONE DERIVATIVE COMPOUNDS NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 EP disclosed
EP-0200942-A2 New derivatives of an aminoketone NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1986-11-12 EP disclosed
US-4563454-A ASTHMA, RHINITIS, DERMATITIS NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1986-01-07 US disclosed
EP-0004000-B1 NEW PROPANONE DERIVATIVES, PROCESS FOR PRODUCING THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE DERIVATIVES AS ACTIVE INGREDIENTS NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1984-11-28 EP disclosed
US-4277474-A DERMATITIS, RHINITIS, ASTHMA NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1981-07-07 US disclosed
US-4184874-A Photosensitive composition containing chelate compound FUJI PHOTO FILM CO., LTD. (JP) 1980-01-22 US disclosed
EP-0004000-A1 New propanone derivatives, process for producing thereof and pharmaceutical compositions containing these derivatives as active ingredients NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1979-09-19 EP disclosed
US-3975373-A CYCLOPENTANONE HELVETICOSIDE JOHANN A. WULFING FABRIK PHARMAZEUTISCHER PRAPARATE (DT) 1976-08-17 US disclosed
US-3951946-A Cardioglycoside derivatives of the strophanthidin type, a process for their manufacture and medicinal preparations containing these compounds JOHANN A. WULFING FABRIK PHARMAZEUTISCHER PRAPARATE (DT) 1976-04-20 US 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 (3 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-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES QDPR, SIRT5, PDXK ALDH1A1 767/4885MAPK1 2129/4885SMN1; SMN2 3131/4885
US-20220145179-A1 SYNTHESIS OF ARYL 1-(METHOXYMETHYL) VINYL KETONES AND THEIR USE AS INHIBITORS OF MILD STEEL CORROSION PAH, CYP2F1, ADH1C ALDH1A1 15/4885MAPK1 569/4885SMN1; SMN2 3579/4885
US-20170320821-A1 NOVEL ANILINE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF S1PR3, S1PR1, S1PR2 ALDH1A1 2780/4885MAPK1 1870/4885SMN1; SMN2 3649/4885

“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.