SCHEMBL4868031

SCHEMBL4868031

CC(C)(C)Oc1cc(C(C)(C)C)ccc1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 8/20 0.41
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 3/20 0.34
HPGD P15428 2/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 2/20 0.33
PLA2G1B P04054 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33

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
SCHEMBL27559288 0.86 MAPT (0.43) CA1CA2CA9ALDH1A1MAPT
SCHEMBL31134158 0.84 ALDH1A1 (0.59) CA1CA2CA9ALDH1A1MAPT
SCHEMBL24398644 0.84 ALDH1A1 (0.59) CA1CA2CA9ALDH1A1MAPT
SCHEMBL20710992 0.80 ALDH1A1 (0.55) ALDH1A1MAPTNPSR1CYP2C19L3MBTL1
SCHEMBL28526096 0.80 ALDH1A1 (0.44) CA1CA2CA9ALDH1A1MAPT
SCHEMBL5204561 0.79 CA1 (0.39) CA1CA2CA9ALDH1A1MAPT
SCHEMBL5706328 0.78 CA1 (0.53) CA1CA2CA9ALDH1A1MAPT
SCHEMBL356134 0.77 MAPT (0.44) CA1CA2CA9ALDH1A1MAPT
SCHEMBL3410646 0.76 ALDH1A1 (0.39) ALDH1A1MAPTNPSR1CYP2C19L3MBTL1
SCHEMBL4057549 0.76 TDP1 (0.55) ALDH1A1MAPTNPSR1MAPK1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6908505-B2 Thermochromic compositions of color formers and lewis acids SPECTRA SYSTEMS CORPORATION (US) 2005-06-21 US claimed
US-20040119057-A1 Thermochromic compositions of color formers and lewis acids SPECTRA SYSTEMS CORPORATION 2004-06-24 US claimed
US-20030211138-A1 Temperature control system for cutaneous photodynamic therapy SPECTRA SYSTEMS CORPORATION 2003-11-13 US claimed
WO-2003070315-A2 TEMPERATURE CONTROL SYSTEM FOR CUTANEOUS PHOTODYNAMIC THERAPY SPECTRA SYSTEMS CORPORATION (US) 2003-08-28 WO claimed
CN-115806846-B Dual-functional gasoline detergent main agent and preparation method thereof 中国石油化工股份有限公司 2024-07-09 CN disclosed
CN-115806845-B Gasoline detergent and preparation method thereof 中国石油化工股份有限公司 2024-06-11 CN disclosed
CN-115806846-A Dual-function gasoline detergent base and preparation method thereof 中国石油化工股份有限公司 2023-03-17 CN disclosed
CN-115806845-A Gasoline detergent and preparation method thereof 中国石油化工股份有限公司 2023-03-17 CN disclosed
EP-2590740-B1 POLYURETHANES MADE USING COPPER CATALYSTS DOW GLOBAL TECHNOLOGIES LLC (US) 2019-01-09 EP disclosed
CN-108516819-A A kind of preparation method of glass TZO semi-conducting materials 南京迪纳科材料发展股份有限公司 2018-09-11 CN disclosed
US-9718915-B2 Polyurethanes made with copper catalysts DOW GLOBAL TECHNOLOGIES LLC (US) 2017-08-01 US disclosed
US-20150246993-A1 Polyurethanes Made with Copper Catalysts DOW CHEMICAL INTERNATIONAL PVT. LTD. (IN) 2015-09-03 US disclosed
EP-1569996-A1 POLYMERISATION REACTION AND CATALYST THEREFOR JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2005-09-07 EP disclosed
US-20050192454-A1 Process for the cyanation aldehydes NESMEYANOV INSTITUTE OF ORGANOELEMENT COMPOUNDS AND KING'S COLLEGE LONDON 2005-09-01 US disclosed
US-6908505-B2 Thermochromic compositions of color formers and lewis acids SPECTRA SYSTEMS CORPORATION (US) 2005-06-21 US disclosed
US-6897332-B2 Process for the cyanation of aldehydes NESMEYANOV INSTITUTE OF ORGANOELEMENT COMPOUNDS (RU) 2005-05-24 US disclosed
US-6881915-B2 Contrast enhancing marking system for application of unobtrusive identification and other markings SPECTRA SYSTEMS CORPORATION (US) 2005-04-19 US disclosed
WO-2004052980-A1 POLYMERISATION REACTION AND CATALYST THEREFOR JOHNSON MATTHEY PLC (GB) 2004-06-24 WO disclosed
US-20030199706-A1 Process for the cyanation of aldehydes NESMEY ANOV INSTITUTE OF ORGANOELEMENT COMPOUNDS 2003-10-23 US disclosed
WO-2003018662-A1 CATALYSTS AND CURABLE COMPOSITIONS JOHNSON MATTHEY PLC (GB) 2003-03-06 WO 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 (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-20030199706-A1 Process for the cyanation of aldehydes CPN1, CRBN, NCL CA1 29/4885CA2 28/4885CA9 10/4885
US-20050192454-A1 Process for the cyanation aldehydes CA4, CA9, CA12 CA1 24/4885CA2 21/4885CA9 2/4885

“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.