SCHEMBL4615150

SCHEMBL4615150

CC(C)(C)Sc1cc[c]cc1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.41
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AR P10275 1/20 0.36

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
SCHEMBL2329595 0.80 KDM4E (0.33) KDM4EAR
SCHEMBL5546729 0.74 SLC6A4 (0.45) SLC6A4KDM4EHSD17B10AR
SCHEMBL145124 0.74 ALDH1A1 (0.52) KDM4E
SCHEMBL575613 0.72 HSD17B10 (0.45) SLC6A4KDM4EHSD17B10AR
SCHEMBL21100519 0.72 SLC6A4 (0.48) SLC6A4KDM4EHSD17B10AR
SCHEMBL10969374 0.72 KDM4E (0.34) KDM4E
SCHEMBL11661367 0.72 KDM4E (0.33) SLC6A4KDM4EHSD17B10AR
SCHEMBL13923556 0.70 SLC6A4 (0.47) SLC6A4KDM4EHSD17B10AR
Fluoride SCHEMBL777953 0.70 HSD17B10 (0.43) SLC6A4KDM4EHSD17B10AR
Fluoride SCHEMBL1335636 0.70 HSD17B10 (0.43) SLC6A4KDM4EHSD17B10AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371747-B2 Cyanoalkylamino derivatives as protease inhibitors MERCK FROSST CANADA & CO. (CA) 2008-05-13 US claimed
EP-1446115-B1 CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-02-27 EP claimed
EP-1446115-A4 CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2005-02-02 EP claimed
US-20050014941-A1 Cyanoalkylamino derivatives as protease inhibitors MERCK FROSST CANADA LTD. (CA) 2005-01-20 US claimed
EP-1446115-A2 CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS Merck Frosst Canada & Co. (CA) 2004-08-18 EP claimed
WO-2003041649-A2 CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-05-22 WO claimed
CN-112424253-B Bulk polymerization of polyoxazolidinones 巴斯夫欧洲公司 2024-02-27 CN disclosed
US-10857121-B2 Use of malononitrile compounds for protecting animals from parasites MERIAL INC. (US) 2020-12-08 US disclosed
EP-3131398-B1 USE OF MALONONITRILE COMPOUNDS FOR PROTECTING ANIMALS FROM PARASITES BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2019-10-23 EP disclosed
US-10292388-B2 Malononitrile compounds for controlling animal pests BASF SE (DE) 2019-05-21 US disclosed
CN-105849206-B Adhesive composition 建筑研究和技术有限公司 2018-05-29 CN disclosed
EP-2911509-B1 MALONONITRILE COMPOUNDS FOR CONTROLLING ANIMAL PESTS BASF SE (DE) 2017-07-19 EP disclosed
EP-3131398-A1 USE OF MALONONITRILE COMPOUNDS FOR PROTECTING ANIMALS FROM PARASITES Merial, Inc. (US) 2017-02-22 EP disclosed
EP-0145434-A2 Novel dihydropyridine derivatives and process for preparing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-06-19 EP disclosed
EP-0138754-A2 Photocurable compositions CIBA-GEIGY AG (CH) 1985-04-24 EP disclosed
US-4136100-A BLUE-VIOLET TO GREEN-BLUE DYEINGS ON CELLULOSE TEXTILES BASF AKTIENGESELLSCHAFT (DE) 1979-01-23 US disclosed
US-4120886-A APHIDICIDES PPG INDUSTRIES, INC. (US) 1978-10-17 US disclosed
US-4056544-A Anthraquinone compounds BAYER AKTIENGESELLSCHAFT (DT) 1977-11-01 US disclosed
US-4055656-A S-ARYL-N-CYCLOALKYLTHIOLCARBAMATES PPG INDUSTRIES, INC. (US) 1977-10-25 US disclosed
US-3933912-A Substituted phenylthioamidines THE DOW CHEMICAL COMPANY (US) 1976-01-20 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-20050014941-A1 Cyanoalkylamino derivatives as protease inhibitors CTSB, CTSK, CTSS SLC6A4 3593/4885KDM4E 2838/4885HSD17B10 1832/4885
US-10857121-B2 Use of malononitrile compounds for protecting animals from parasites MAL2, NAT1, ME1 SLC6A4 1660/4885KDM4E 255/4885HSD17B10 673/4885
US-10292388-B2 Malononitrile compounds for controlling animal pests MAL2, ME1, DDT SLC6A4 2578/4885KDM4E 323/4885HSD17B10 970/4885

“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.