SCHEMBL543053

SCHEMBL543053

CC(C)(C)OC(=O)c1cc[c]cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
ELANE P08246 2/20 0.39
SLC7A5 Q01650 1/20 0.39
STAT3 P40763 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL7705765 0.89 CA12 (0.59) CA12CA1CA2CA9CA14
SCHEMBL109451 0.84 CA1 (0.61) CA12CA1CA2CA9CA14
SCHEMBL28708208 0.81 ELANE (0.38) CA12CA1CA2CA9CA14
SCHEMBL11328309 0.81 CYP1A2 (0.43) CA12CA1CA2CA9CA14
Water SCHEMBL1464126 0.81 TDP1 (0.62) CA12CA1CA2CA9CA14
Hydrazine SCHEMBL10771056 0.80 CA12 (0.62) CA12CA1CA2CA9CA14
SCHEMBL28715351 0.80 ELANE (0.34) CA12CA1CA2CA9CA14
SCHEMBL4532351 0.78 ELANE (0.60) CA12CA1CA2CA9CA14
Hydrogen Peroxide SCHEMBL28425777 0.78 TDP1 (0.64) CA12CA1CA2CA9CA14
SCHEMBL260960 0.78 TDP1 (0.64) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117396477-A Pyridyl-substituted oxoisoindoline compounds for the treatment of cancer 百时美施贵宝公司 2024-01-12 CN claimed
US-11834532-B2 Photoinitiators IGH RESINS ITALIA S.R.L. (IT) 2023-12-05 US claimed
EP-3902878-A1 PHOTOINITIATORS IGM Resins Italia S.r.l. (IT) 2021-11-03 EP claimed
CN-113518805-A Photoinitiator 意大利艾坚蒙树脂有限公司 2021-10-19 CN claimed
WO-2020136522-A1 PHOTOINITIATORS IGM RESINS ITALIA S.R.L. (IT) 2020-07-02 WO claimed
US-9102669-B2 Substituted piperidinyl-pyridazinyl derivatives useful as SCD 1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-08-11 US claimed
US-20140371220-A1 SUBSTITUTED PIPERIDINYL-PYRIDAZINYL DERIVATIVES USEFUL AS SCD 1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-12-18 US claimed
WO-2013085957-A1 SUBSTITUTED PIPERIDINYL-PYRIDAZINYL DERIVATIVES USEFUL AS SCD 1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2013-06-13 WO claimed
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US claimed
JP-4673977-B2 2011-04-20 JP claimed
WO-2000059509-A1 PHTHALAZINE DERIVATIVES FOR TREATING INFLAMMATORY DISEASES NOVARTIS AG (CH) 2000-10-12 WO claimed
EP-0966456-A4 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF RES FOUNDATION OF (US) 2000-07-26 EP claimed
EP-0966456-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1999-12-29 EP claimed
US-5811452-A ADMINISTERING WITH PACLITAXEL OR DOXORUBICIN THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-09-22 US claimed
WO-1998030553-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-07-16 WO claimed
CN-1092780-A Reduce and suppress the method for local asphyxia and reperfusion injury LILLY CO ELI (US) 1994-09-28 CN claimed
EP-0505413-B1 BETA-LACTAM DERIVATIVES ERBA CARLO SPA (IT) 1994-08-31 EP claimed
EP-0505413-A1 BETA-LACTAM DERIVATIVES. ERBA FARMITALIA (IT) 1992-09-30 EP claimed
WO-1991009036-A1 BETA-LACTAM DERIVATIVES FARMITALIA CARLO ERBA S.R.L. (IT) 1991-06-27 WO claimed
US-4321118-A Bis benzoyl sensitizers for photopolymerization or photo cross linking process and composition CIBA-GEIGY CORPORATION (US) 1982-03-23 US claimed

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-20140371220-A1 SUBSTITUTED PIPERIDINYL-PYRIDAZINYL DERIVATIVES USEFUL AS SCD 1 INHIBITORS SCD, SCD5, PLIN1 CA12 4881/4885CA1 4883/4885CA2 4140/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 CA12 4474/4885CA1 2849/4885CA2 1401/4885

“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.