SCHEMBL631325

SCHEMBL631325

C1CCC(NC2CCCCC2)CC1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.61

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
TSHR P16473 3/20 0.61
CYP3A4 P08684 1/20 0.61
ADORA3 P0DMS8 1/20 0.56
GAA P10253 1/20 0.55
KCNH2 Q12809 1/20 0.55
LMNA P02545 3/20 0.52
EPHX2 P34913 1/20 0.52
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51
POLB P06746 2/20 0.50
TP53 P04637 2/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
CYP2D6 P10635 1/20 0.48
EPHX1 P07099 1/20 0.46

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
Butane SCHEMBL2149677 0.94 ALDH1A1 (0.55) ALDH1A1TSHRCYP3A4ADORA3GAA
SCHEMBL8999594 0.91 CYP2D6 (0.51) ALDH1A1TSHRCYP3A4ADORA3GAA
Cyclamic Acid SCHEMBL4613995 0.87 ALDH1A1 (0.67) ALDH1A1TSHRCYP3A4ADORA3GAA
Cyclohexane SCHEMBL27563472 0.84 GAA (0.54) ALDH1A1TSHRCYP3A4GAALMNA
Cyclopropane SCHEMBL2101355 0.84 GAA (0.54) ALDH1A1TSHRCYP3A4GAALMNA
Cyclohexanol SCHEMBL1553521 0.83 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4ADORA3GAA
Phosphine SCHEMBL28194487 0.82 GAA (0.52) ALDH1A1TSHRCYP3A4GAALMNA
SCHEMBL6958251 0.81 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4ADORA3GAA
Cyclohexylamine SCHEMBL11787101 0.81 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4ADORA3GAA
SCHEMBL4824258 0.81 CYP2D6 (0.51) ALDH1A1TSHRCYP3A4ADORA3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115232185-A Preparation process of monatibavir 迪维实验室有限公司 2022-10-25 CN disclosed
EP-2420891-B1 Process for immersion lithography ROHM & HAAS ELECT MAT (US) 2021-06-23 EP disclosed
US-10809616-B2 Cholate photoacid generators and photoresists comprising same ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2020-10-20 US disclosed
US-10670965-B2 Polymers and photoresist compositions ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2020-06-02 US disclosed
US-10558122-B2 Compositions comprising sulfonamide material and processes for photolithography ROHM AND HAAS ELECTRONIC MATERIALS, LLC (US) 2020-02-11 US disclosed
US-20190346763-A1 COMPOSITIONS COMPRISING HETERO-SUBSTITUTED CARBOCYCLIC ARYL COMPONENT AND PROCESSES FOR PHOTOLITHOGRAPHY ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2019-11-14 US disclosed
US-10474032-B2 Coating compositions ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2019-11-12 US disclosed
US-10466588-B2 Sulfonyl photoacid generators and photoresists comprising same ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2019-11-05 US disclosed
US-10359698-B2 Compositions comprising hetero-substituted carbocyclic aryl component and processes for photolithography ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2019-07-23 US disclosed
EP-1720072-B1 Compositons and processes for immersion lithography ROHM & HAAS ELECT MAT (US) 2019-06-05 EP disclosed
US-20030013049-A1 Photoacid generator systems for short wavelength imaging SHIPLEY COMPANY, L.L.C. 2003-01-16 US disclosed
US-6482567-B1 Oxime sulfonate and N-oxyimidosulfonate photoacid generators and photoresists comprising same SHIPLEY COMPANY, L.L.C. 2002-11-19 US disclosed
US-6458506-B2 GENERATING ANTHRACENE ACID UPON EXPOSURE TO ACTIVATING RADIATION SHIPLEY COMPANY, LLC 2002-10-01 US disclosed
US-20020051932-A1 Photoresists for imaging with high energy radiation SHIPLEY COMPANY, L.L.C. 2002-05-02 US disclosed
US-20020009663-A1 Photoacid generators and photoresists comprising same SHIPLEY COMPANY, L.L.C. 2002-01-24 US disclosed
US-20020001770-A1 PHOTOACID GENERATORS AND PHOTORESISTS COMPRISING SAME SHIPLEY COMPANY, L.L.C. 2002-01-03 US disclosed
US-6048672-A RELIEF IMAGES ON SUBSTRATES WITH TITANIUM NITRIDE SURFACES, HEATING, COATING, EXPOSURE AND DEVELOPMENT SHIPLEY COMPANY, L.L.C. (US) 2000-04-11 US disclosed
US-6037107-A EXPOSING TO ACTIVATION RADIATION A POSITIVE WORKING PHOTORESIST COMPRISING AN ALKALI SOLUBLE RESIN SUBSTITUTED WITH AN ACID LABILE BLOCKING GROUP TO GENERATE HALOGENATED SULFONIC ACID BY PHOTOLYSIS SHIPLEY COMPANY, L.L.C. (US) 2000-03-14 US disclosed
EP-0938029-A2 Methods using photoresist compositions and articles produced therewith Shipley Company LLC (US) 1999-08-25 EP disclosed
EP-0498268-A2 5-Oxo-L-proline derivatives and pharmaceutical use thereof POLI INDUSTRIA CHIMICA S.p.A. (IT) 1992-08-12 EP 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-10809616-B2 Cholate photoacid generators and photoresists comprising same GGCT, LCAT, SLC7A11 ALDH1A1 1769/4885TSHR 3268/4885CYP3A4 535/4885
US-20020009663-A1 Photoacid generators and photoresists comprising same GSS, TST, SQOR ALDH1A1 350/4885TSHR 4274/4885CYP3A4 1732/4885
US-10466588-B2 Sulfonyl photoacid generators and photoresists comprising same GSS, GLUL, GLP1R ALDH1A1 1534/4885TSHR 934/4885CYP3A4 1326/4885

“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.