SCHEMBL135745

SCHEMBL135745

NCC(O)(O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.52
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KCNN4 O15554 1/20 0.43
KIF11 P52732 4/20 0.43
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
KCNA5 P22460 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRM3 P20309 2/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL10505123 0.79 CYP1A2 (0.56) TAAR1CYP1A2CYP2C9CYP2C19KCNN4
SCHEMBL453396 0.79 TAAR1 (0.52) TAAR1CYP1A2CYP2C9CYP2C19KCNN4
SCHEMBL2790358 0.77 TAAR1 (0.50) TAAR1CYP1A2CYP2C9CYP2C19KCNN4
Hydrochloric Acid SCHEMBL10684188 0.77 SMN1; SMN2 (0.50) TAAR1CYP1A2CYP2C9CYP2C19KCNN4
Hydrochloric Acid SCHEMBL10674080 0.77 CYP1A2 (0.54) TAAR1CYP1A2CYP2C9CYP2C19KCNN4
SCHEMBL20534911 0.76 CYP2C19 (0.46) TAAR1CYP1A2CYP2C9CYP2C19KCNN4
SCHEMBL1331715 0.76 CYP2C19 (0.46) TAAR1CYP1A2CYP2C9CYP2C19KCNN4
SCHEMBL10924923 0.75 LMNA (0.58) CYP1A2CYP2C19LMNAMAPTSMN1; SMN2
SCHEMBL3046939 0.75 TAAR1 (0.48) TAAR1CYP1A2CYP2C9CYP2C19KCNN4
SCHEMBL9580777 0.75 TAAR1 (0.60) TAAR1CYP1A2CYP2C9CYP2C19MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119216402-A High-conductivity graphene copper wire and preparation method thereof 江苏蓝齐尔新材料科技有限公司 2024-12-31 CN claimed
CN-119061296-A High-strength aluminum alloy and preparation method thereof 深圳市鑫申新材料科技有限公司 2024-12-03 CN claimed
CN-116763853-A Formula for inhibiting brain and eye diseases 许颢瀚 2023-09-19 CN claimed
EP-4206236-A1 COMPOUNDS, THEIR SYNTHESIS AND COMPOSITIONS COMPRISING THE COMPOUNDS FOR ENHANCED DEPOSITION OF POLYMERS ONTO HAIR SURFACES Kao Corporation (JP) 2023-07-05 EP claimed
CN-115710464-A Silicon oxide dielectric layer chemical mechanical polishing solution with low surface roughness 博力思(天津)电子科技有限公司 2023-02-24 CN claimed
CN-113943422-B Flow pattern regulator and preparation method and application thereof 中国石油天然气集团有限公司 2022-11-01 CN claimed
CN-115073719-A Anti-aging degradable polyester and preparation method and application thereof 江苏睿安应用生物技术股份有限公司 2022-09-20 CN claimed
CN-113943422-A Flow pattern regulator and preparation method and application thereof 中国石油天然气集团有限公司 2022-01-18 CN claimed
CN-112625776-A Graphene compound for lubricating oil additive and preparation method and application thereof 中国石油化工股份有限公司 2021-04-09 CN claimed
CN-111470822-A Preparation method of concrete 海娇 2020-07-31 CN claimed
EP-2393846-A1 MULTIBRANCHED BIOADHESIVE COMPOUNDS AND SYNTHETIC METHODS THEREFOR KNC NER Acquisition Sub, Inc. (US) 2011-12-14 EP claimed
EP-2348835-A1 MULTI-ARMED CATECHOL COMPOUND BLENDS KNC NER Acquisition Sub, Inc. (US) 2011-08-03 EP claimed
WO-2010091298-A1 MULTIBRANCHED BIOADHESIVE COMPOUNDS AND SYNTHETIC METHODS THEREFOR NERITES CORPORATION (US) 2010-08-12 WO claimed
US-20100113828-A1 MULTI-ARMED CATECHOL COMPOUND BLENDS NERITES CORPORATION (US) 2010-05-06 US claimed
WO-2010037045-A1 MULTI-ARMED CATECHOL COMPOUND BLENDS NERITES CORPORATION (US) 2010-04-01 WO claimed
US-7109329-B2 Neurologically active compounds and compounds with multiple activities NAFTCHI N ERIC 2006-09-19 US claimed
WO-1995032981-A1 NOVEL GLYCOSIDE COMPOUNDS AND PRODUCTION AND USE THEREOF HARRIER, INC. (US) 1995-12-07 WO claimed
US-5310539-A Paramagnetic rare earth metals, magnetic resonance imaging BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1994-05-10 US claimed
EP-0580734-A1 MELANIN-BASED AGENTS FOR IMAGE ENHANCEMENT BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1994-02-02 EP claimed
WO-1992018166-A1 MELANIN-BASED AGENTS FOR IMAGE ENHANCEMENT BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1992-10-29 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100113828-A1 MULTI-ARMED CATECHOL COMPOUND BLENDS COMT, HAAO, PNMT TAAR1 2022/4885CYP1A2 494/4885CYP2C9 326/4885

“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.