SCHEMBL104850

SCHEMBL104850

COc1ccc(CC(C)C)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.69
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.59
LDHA P00338 1/20 0.59
IDO1 P14902 2/20 0.54
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
AGXT P21549 1/20 0.50
LTA4H P09960 1/20 0.50
AOC3 Q16853 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49

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
Ammonia Solution, Strong SCHEMBL8170665 0.98 SLC6A4 (0.67) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
Hydrochloric Acid SCHEMBL28699626 0.96 SLC6A4 (0.64) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
Iodide SCHEMBL28694313 0.96 SLC6A4 (0.64) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
Bromide SCHEMBL28700903 0.96 SLC6A4 (0.64) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL19865658 0.94 SLC6A4 (0.62) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL21323940 0.94 SLC6A4 (0.62) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL13719143 0.94 SLC6A4 (0.62) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL2913839 0.88 SLC6A4 (0.56) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
Acetic Acid SCHEMBL28687880 0.87 LDHA (0.66) SLC6A4LDHA
Sulfuric Acid SCHEMBL28679091 0.87 LDHA (0.56) SLC6A4CYP1A2CYP2D6CYP2C19LDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3983393-B1 NOVEL SPIROBICYCLIC INTERMEDIATES JANSSEN PHARMACEUTICA NV (BE) 2025-04-02 EP claimed
CN-109938020-A A kind of chrysanthemum smaller green leaf hopper repellent agent and its application method 中国计量大学 2019-06-28 CN claimed
EP-2563508-A2 DELIVERY PARTICLE The Procter & Gamble Company (US) 2013-03-06 EP claimed
WO-2010131146-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO claimed
WO-2010131147-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO claimed
WO-2010079468-A2 DELIVERY PARTICLE THE PROCTER & GAMBLE COMPANY (US) 2010-07-15 WO claimed
EP-0598750-A1 INDOLES Pfizer Limited (GB) 1994-06-01 EP claimed
WO-1993002050-A1 INDOLES PFIZER LIMITED (GB) 1993-02-04 WO claimed
US-4473713-A Hydrolysis of aryl-aliphatic ethers RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-09-25 US claimed
US-20240239786-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT AND PREVENTION OF CANCER YALE UNIVERSITY 2024-07-18 US disclosed
US-12029739-B2 SHP2 inhibitor and use thereof KANAPH THERAPEUTICS INC. (KR) 2024-07-09 US disclosed
US-20240217995-A1 COMPOSITIONS FOR CHEMICAL SYNTHESIS OF PEPTIDES SEDERMA (FR) 2024-07-04 US disclosed
US-12024537-B2 Compositions and methods for chemical synthesis SEDERMA (FR) 2024-07-02 US disclosed
WO-2024137506-A1 COMPOSITIONS AND METHODS FOR IMPROVING NEUROLOGICAL DISEASES AND DISORDERS CURASEN THERAPEUTICS, INC. (US) 2024-06-27 WO disclosed
EP-0017132-B1 DYESTUFFS, THEIR PREPARATION AND UTILISATION BASF Aktiengesellschaft (DE) 1981-10-14 EP disclosed
EP-0017132-A1 Dyestuffs, their preparation and utilisation BASF Aktiengesellschaft (DE) 1980-10-15 EP disclosed
US-4104402-A BRONCHODILATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1978-08-01 US disclosed
US-4067904-A ANTIARRHYTHMIA, HYPOTENSIVE MEAD JOHNSON & COMPANY (US) 1978-01-10 US disclosed
US-4035512-A Aminotetralols TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-07-12 US disclosed
US-4010202-A TREATMENT OF ASTHMA AND ARRHYTHMIA TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-03-01 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 (4 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-20240239786-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT AND PREVENTION OF CANCER BRCA1, RAD51, PARP3 SLC6A4 3287/4885CYP1A2 1715/4885CYP2D6 571/4885
US-12029739-B2 SHP2 inhibitor and use thereof PTPN1, PTPN5, PTPN2 SLC6A4 4745/4885CYP1A2 4180/4885CYP2D6 4405/4885
US-12024537-B2 Compositions and methods for chemical synthesis NGLY1, DNPEP, HM13 SLC6A4 4596/4885CYP1A2 4625/4885CYP2D6 4226/4885
US-20240217995-A1 COMPOSITIONS FOR CHEMICAL SYNTHESIS OF PEPTIDES PTMS, DNPEP, ANPEP SLC6A4 3943/4885CYP1A2 4776/4885CYP2D6 4445/4885

“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.