SCHEMBL17428477

SCHEMBL17428477

CCC(C)c1ccccc1CN(C)C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
SLC6A4 P31645 11/20 0.50
SLC6A2 P23975 9/20 0.45
SLC6A3 Q01959 8/20 0.45
ATM Q13315 1/20 0.42
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HTR2A P28223 1/20 0.38
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL12646286 0.82 SLC6A4 (0.47) TSHRSLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL13226180 0.82 SLC6A4 (0.46) TSHRSLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL681660 0.82 SLC6A4 (0.54) TSHRSLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL9838740 0.79 TSHR (0.59) TSHRSLC6A4SLC6A2SLC6A3ATM
SCHEMBL3627333 0.79 TSHR (0.59) TSHRSLC6A4SLC6A2SLC6A3ATM
SCHEMBL5353085 0.78 TSHR (0.57) TSHRATMKDM4E
SCHEMBL994607 0.76 TSHR (0.73) TSHRATMLMNAKDM4E
SCHEMBL394969 0.76 TSHR (0.55) TSHRATMALDH1A1KDM4E
SCHEMBL357875 0.76 TSHR (0.61) TSHRKDM4E
SCHEMBL20739981 0.76 TSHR (0.55) TSHRATMKDM4E

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839679-B2 Gamma-diketones for treatment and prevention of aging skin and wrinkles BIOSPLICE THERAPEUTICS, INC. (US) 2023-12-12 US disclosed
US-20220087917-A1 GAMMA-DIKETONES FOR TREATMENT AND PREVENTION OF AGING SKIN AND WRINKLES VICKERS VENTURE FUND VI PTE. LTD. (SG) 2022-03-24 US disclosed
US-9939729-B2 Resist pattern-forming method JSR CORPORATION (JP) 2018-04-10 US disclosed
US-9766547-B2 Pattern forming method, actinic ray-sensitive or radiation-sensitive resin composition, resist film, method of manufacturing electronic device using the same, and electronic device FUJIFILM CORPORATION (JP) 2017-09-19 US disclosed
US-9750740-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors Kanos Pharmaceuticals, Inc. (US) 2017-09-05 US disclosed
US-9651863-B2 Pattern forming method, active light sensitive or radiation sensitive resin composition, resist film, method for manufacturing electronic device, and electronic device FUJIFILM CORPORATION (JP) 2017-05-16 US disclosed
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2017-04-06 US disclosed
US-20170075224-A1 RESIST PATTERN-FORMING METHOD JSR CORPORATION (JP) 2017-03-16 US disclosed
US-20170059992-A1 RESIST PATTERN-FORMING METHOD AND CHEMICALLY AMPLIFIED RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2017-03-02 US disclosed
US-20160327866-A1 PATTERN FORMING METHOD, TREATING AGENT, ELECTRONIC DEVICE, AND METHOD FOR MANUFACTURING THE SAME FUJIFILM CORPORATION (JP) 2016-11-10 US disclosed
US-20160041465-A1 PATTERN FORMING METHOD, ACTIVE LIGHT SENSITIVE OR RADIATION SENSITIVE RESIN COMPOSITION, RESIST FILM, METHOD FOR MANUFACTURING ELECTRONIC DEVICE, AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2016-02-11 US disclosed
US-20160011517-A1 PATTERN FORMING METHOD, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM, METHOD OF MANUFACTURING ELECTRONIC DEVICE USING THE SAME, AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2016-01-14 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-20220087917-A1 GAMMA-DIKETONES FOR TREATMENT AND PREVENTION OF AGING SKIN AND WRINKLES GLA, DGKG, DGKA TSHR 4098/4885SLC6A4 4817/4885SLC6A2 4877/4885
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A TSHR 1218/4885SLC6A4 19/4885SLC6A2 109/4885
US-11839679-B2 Gamma-diketones for treatment and prevention of aging skin and wrinkles DGKG, DGKA, DNER TSHR 2958/4885SLC6A4 4206/4885SLC6A2 4176/4885

“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.