SCHEMBL394465

SCHEMBL394465

CCC(C)c1ccc(CN)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
LOXL2 Q9Y4K0 2/20 0.42
PSIP1 O75475 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
TSHR P16473 2/20 0.42
CYP2C9 P11712 1/20 0.42
TAAR1 Q96RJ0 2/20 0.41
ABAT P80404 1/20 0.41

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
SCHEMBL14644326 1.00 ALDH1A1 (0.46) ALDH1A1USP2GAAPKMHPGD
SCHEMBL24246248 1.00 ALDH1A1 (0.46) ALDH1A1USP2GAAPKMHPGD
Hydrochloric Acid SCHEMBL4985421 0.98 ALDH1A1 (0.44) ALDH1A1USP2GAAPKMHPGD
SCHEMBL24741509 0.83 HRH3 (0.41) HRH3LOXL2PSIP1ESR1ESR2
SCHEMBL18924648 0.83 HRH3 (0.41) HRH3LOXL2PSIP1ESR1ESR2
SCHEMBL598140 0.83 ALDH1A1 (0.52) ALDH1A1USP2GAAPKMHPGD
Hydrochloric Acid SCHEMBL27512774 0.82 TAAR1 (0.58) HRH3LOXL2PSIP1ESR1ESR2
SCHEMBL9838746 0.81 ESR1 (0.45) ALDH1A1USP2GAAPKMHPGD
SCHEMBL9348164 0.81 TSHR (0.52) ALDH1A1USP2GAAPKMHPGD
SCHEMBL18295687 0.81 TSHR (0.52) ALDH1A1USP2GAAPKMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114381247-B Synthesis of branched epoxy resin pressure-bearing plugging material 西南石油大学 2023-04-25 CN claimed
CN-114381247-A Synthesis of branched epoxy resin pressure-bearing plugging material 西南石油大学 2022-04-22 CN claimed
US-20230256377-A1 AMINO SORBENTS FOR CAPTURING OF CO2 FROM GAS STREAMS CLIMEWORKS AG (CH) 2023-08-17 US disclosed
CN-114381247-B Synthesis of branched epoxy resin pressure-bearing plugging material 西南石油大学 2023-04-25 CN disclosed
CN-114381247-A Synthesis of branched epoxy resin pressure-bearing plugging material 西南石油大学 2022-04-22 CN disclosed
US-11130736-B2 Human TLR8-selective agonists UNIVERSITY OF KANSAS (US) 2021-09-28 US disclosed
US-10457823-B2 Aqueous ink composition, ink set, image forming method, and resin microparticles FUJIFILM CORPORATION (JP) 2019-10-29 US disclosed
US-9950319-B2 High exchange-capacity anion exchange resin with dual functional-groups and method of synthesis thereof NANJING UNIVERSITY (CN) 2018-04-24 US disclosed
US-9939729-B2 Resist pattern-forming method JSR CORPORATION (JP) 2018-04-10 US disclosed
US-20170362452-A1 AQUEOUS INK COMPOSITION, INK SET, IMAGE FORMING METHOD, AND RESIN MICROPARTICLES FUJIFILM CORPORATION (JP) 2017-12-21 US disclosed
US-20170274362-A1 RECYCLABLE CATALYSTS FOR CHLORINATION OF ORGANIC ACIDS AND ALCOHOLS GALAXY SURFACTANTS LTD. (IN) 2017-09-28 US disclosed
EP-1300425-A2 Catalyst component for addition polymerization, process for producing said catalyst and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-04-09 EP disclosed
US-20030060579-A1 Catalyst component for addition polymerization, process for producing catalyst for addition polymerization and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-27 US disclosed
US-20020143124-A1 Homogeneous type solid catalyst component or homogeneous type solid catalyst, process for production thereof and process for producing addition polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-10-03 US disclosed
US-6288123-B1 CENTRAL NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCES, INC. 2001-09-11 US disclosed
US-20010020075-A1 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-09-06 US disclosed
EP-1113026-A2 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-07-04 EP disclosed
US-6174924-B1 Therapeutic guanidines CAMBRIDGE NEUROSCIENCE, INC. 2001-01-16 US disclosed
US-6143791-A NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-11-07 US disclosed
WO-1995020950-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-08-10 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-20170274362-A1 RECYCLABLE CATALYSTS FOR CHLORINATION OF ORGANIC ACIDS AND ALCOHOLS ADH1C, ADH1A, OTC ALDH1A1 28/4885USP2 2613/4885GAA 4321/4885
US-11130736-B2 Human TLR8-selective agonists TLR7, TLR8, TLR9 ALDH1A1 4003/4885USP2 3108/4885GAA 3713/4885

“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.