SCHEMBL3884971

SCHEMBL3884971

CC(O)c1cccc(N(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
TSHR P16473 1/20 0.52
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
SLC6A3 Q01959 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
UGT2B7 P16662 1/20 0.44
KDM4E B2RXH2 3/20 0.40
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
CREBBP Q92793 1/20 0.39
GBA1 P04062 2/20 0.38
AOC3 Q16853 1/20 0.37
PTPN5 P54829 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADRB1 P08588 1/20 0.36

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
SCHEMBL6055323 0.86 SLC6A2 (0.54) ALDH1A1TSHRSLC6A2SLC6A4CYP3A4
SCHEMBL11672124 0.85 MEN1 (0.46) ALDH1A1TSHRSLC6A2SLC6A4MEN1
SCHEMBL4734623 0.83 ALDH1A1 (0.50) ALDH1A1TSHRSLC6A2SLC6A4CYP3A4
SCHEMBL24687880 0.81 ALDH1A1 (0.48) ALDH1A1TSHRSLC6A2SLC6A4CYP3A4
SCHEMBL9334664 0.79 UGT2B7 (0.56) ALDH1A1CYP3A4MEN1KMT2AUGT2B7
SCHEMBL9331659 0.79 UGT2B7 (0.56) ALDH1A1CYP3A4MEN1KMT2AUGT2B7
SCHEMBL2812852 0.79 UGT2B7 (0.56) ALDH1A1CYP3A4MEN1KMT2AUGT2B7
SCHEMBL9331663 0.79 UGT2B7 (0.56) ALDH1A1CYP3A4MEN1KMT2AUGT2B7
SCHEMBL6303660 0.79 ALDH1A1 (0.47) ALDH1A1TSHRSLC6A2SLC6A4CYP3A4
SCHEMBL24511248 0.79 ALDH1A1 (0.47) ALDH1A1TSHRSLC6A2SLC6A4CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4458916-A1 PHOTOCATALYTICALLY ACTIVE COATING COMPOSITION, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF TriOptoTec GmbH (DE) 2024-11-06 EP disclosed
US-20220087906-A1 PHOTOPOLYMERIZATION INITIATOR, PHOTOCURABLE COMPOSITION, CURED PRODUCT, AND DENTAL MATERIAL MITSUI CHEMICALS, INC. (JP) 2022-03-24 US disclosed
EP-3895681-A1 PHOTOPOLYMERIZATION INITIATOR, PHOTOCURABLE COMPOSITION, CURED PRODUCT, AND DENTAL MATERIAL Mitsui Chemicals, Inc. (JP) 2021-10-20 EP disclosed
EP-3357898-B1 METHOD FOR PRODUCING ORGANIC COMPOUND FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2020-11-25 EP disclosed
EP-3357898-B1 METHOD FOR PRODUCING ORGANIC COMPOUND FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2020-11-25 EP disclosed
US-10351512-B2 Method of producing organic compound FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-07-16 US disclosed
US-10351512-B2 Method of producing organic compound FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-07-16 US disclosed
US-20180244604-A1 METHOD OF PRODUCING ORGANIC COMPOUND FUJIFILM FINECHEMICALS CO., LTD. (JP) 2018-08-30 US disclosed
EP-3357898-A1 METHOD FOR PRODUCING ORGANIC COMPOUND Fujifilm Finechemicals Co., Ltd. (JP) 2018-08-08 EP disclosed
EP-3357898-A1 METHOD FOR PRODUCING ORGANIC COMPOUND Fujifilm Finechemicals Co., Ltd. (JP) 2018-08-08 EP disclosed
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-21 US disclosed
EP-1300381-B1 Process for preparing optically active alcohols JAPAN SCIENCE & TECH AGENCY (JP) 2006-03-08 EP disclosed
US-6887820-B1 For producing optically active secondary alcohols, producing optically active compounds useful for various utilities such as intermediates for synthesizing pharmaceutical agents, liquid crystal materials and agents for optical resolution JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2005-05-03 US disclosed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 US disclosed
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 EP disclosed
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN HOLDINGS KABUSHIKI KAISHA (JP) 2004-07-08 US disclosed
EP-1300381-A1 Process for preparing optically active alcohols Japan Science and Technology Corporation (JP) 2003-04-09 EP disclosed
EP-1243582-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-09-25 EP disclosed
US-6184381-B1 USEFUL AS INTERMEDIATES FOR SYNTHESIZING PHARMACEUTICAL CHEMICALS, LIQUID CRYSTAL MATERIALS AND AGENTS FOR OPTICAL RESOLUTION, REDUCTION, KETONES TO ALCOHOL, IMINES TO AMINES JAPAN SCIENCE & TECHNOLOGY CORP. (JP) 2001-02-06 US disclosed
EP-0916637-A1 PROCESS FOR PREPARATING OPTICALLY ACTIVE COMPOUNDS Japan Science and Technology Corporation (JP) 1999-05-19 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 (5 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-20180244604-A1 METHOD OF PRODUCING ORGANIC COMPOUND LPO, OR10J3, AOX1 ALDH1A1 790/4885TSHR 4168/4885SLC6A2 2669/4885
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA ALDH1A1 2003/4885TSHR 293/4885SLC6A2 1659/4885
US-20220087906-A1 PHOTOPOLYMERIZATION INITIATOR, PHOTOCURABLE COMPOSITION, CURED PRODUCT, AND DENTAL MATERIAL PPOX, PRXL2A, RAD51 ALDH1A1 1491/4885TSHR 4247/4885SLC6A2 4875/4885
US-10351512-B2 Method of producing organic compound LPO, OR10J3, AOX1 ALDH1A1 790/4885TSHR 4168/4885SLC6A2 2669/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA ALDH1A1 2059/4885TSHR 394/4885SLC6A2 1868/4885

“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.