SCHEMBL97376

SCHEMBL97376

C[C](C)COc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.60
ALDH1A1 P00352 1/20 0.50
RECQL P46063 1/20 0.50
LMNA P02545 1/20 0.50
KCNA3 P22001 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAOB P27338 3/20 0.47
AOC2 O75106 2/20 0.47
MAOA P21397 2/20 0.47
AOC3 Q16853 2/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
ALPL P05186 1/20 0.47
ALPI P09923 1/20 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
SCHEMBL19305271 0.85 ALOX15 (0.60) ALOX15ALDH1A1RECQLLMNAKCNA3
SCHEMBL2020142 0.84 GPR174 (0.60) ALOX15ALDH1A1RECQLLMNAKCNA3
SCHEMBL13221027 0.81 ALOX15 (0.56) ALOX15ALDH1A1RECQLLMNAKCNA3
SCHEMBL12535812 0.81 ALOX15 (0.56) ALOX15ALDH1A1RECQLLMNAKCNA3
SCHEMBL10370966 0.81 ALOX15 (0.56) ALOX15ALDH1A1RECQLLMNAKCNA3
SCHEMBL7746 0.81 ALOX15 (0.68) ALOX15LMNASMN1; SMN2MEN1KMT2A
SCHEMBL1486040 0.81 GPR174 (0.62) ALOX15ALDH1A1RECQLLMNAKCNA3
SCHEMBL9538610 0.81 ALOX15 (0.56) ALOX15ALDH1A1RECQLLMNAKCNA3
SCHEMBL194404 0.79 ALOX15 (0.65) ALOX15ALDH1A1RECQLLMNAKCNA3
SCHEMBL2778615 0.78 CA12 (0.52) ALDH1A1LMNACYP2C9SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021217040-A1 CARBAMATE AND UREA DERIVATIVES IMMVENTION THERAPEUTIX (US) 2021-10-28 WO claimed
EP-0586418-A1 SUBSTITUTED TRIAZOLINONES BAYER AG (DE) 1994-03-16 EP claimed
US-5276008-A Herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1994-01-04 US claimed
WO-1992020663-A1 SUBSTITUTED TRIAZOLINONES BAYER AKTIENGESELLSCHAFT (DE) 1992-11-26 WO claimed
EP-0502307-A2 Substituted 4,5-diamino-1,2,4-triazol-3-(thi)ones BAYER AG (DE) 1992-09-09 EP claimed
EP-0033088-B1 ANTIMYCOTIC AGENTS BAYER AG (DE) 1983-05-25 EP claimed
EP-0033088-A2 Antimycotic agents BAYER AG (DE) 1981-08-05 EP claimed
US-20220135557-A1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-05-05 US disclosed
US-20220119382-A1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-04-21 US disclosed
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-03-15 US disclosed
CN-113683610-A RET inhibitor, pharmaceutical composition and application thereof 广东东阳光药业有限公司 2021-11-23 CN disclosed
CN-113683611-A RET inhibitors, pharmaceutical compositions thereof and uses thereof 广东东阳光药业有限公司 2021-11-23 CN disclosed
CN-113620945-A RET inhibitor, pharmaceutical composition thereof and application thereof in medicines 广东东阳光药业有限公司 2021-11-09 CN disclosed
EP-0007505-A2 Alpha-azolyl-beta-hydroxy-ketones, process for their preparation and their use as fungicides BAYER AG (DE) 1980-02-06 EP disclosed
EP-0007506-A1 Derivatives of alpha-azolyl ketones, processes for their preparation and their use as fungicides BAYER AG (DE) 1980-02-06 EP disclosed
US-4147869-A ADRENERGIC BLOCKING AGENTS FOR TREATMENT OF ANGINA PECTORIS, ARRHYTHMIA AND HYPERTENSION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1979-04-03 US disclosed
US-4119729-A TREATMENT OF HYPERTENSION MEAD JOHNSON & COMPANY (US) 1978-10-10 US disclosed
US-4067904-A ANTIARRHYTHMIA, HYPOTENSIVE MEAD JOHNSON & COMPANY (US) 1978-01-10 US disclosed
US-3954984-A ANTISECRETRETORY AGENTS, CENTRAL NERVOUS SYSTEM DEPRESSANTS RICHARDSON-MERRELL INC. (US) 1976-05-04 US disclosed
US-3954981-A Triazolocycloalkylhydrothiadiazine derivatives RICHARDSON-MERRELL INC. (US) 1976-05-04 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-20220119382-A1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF RET, SLC10A2, REL ALOX15 1096/4885ALDH1A1 2416/4885RECQL 1318/4885
US-20220135557-A1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF RET, REL, SLC10A2 ALOX15 1267/4885ALDH1A1 2845/4885RECQL 1611/4885
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone CRH, MC2R, HTR3C ALOX15 1816/4885ALDH1A1 1739/4885RECQL 129/4885

“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.