SCHEMBL7775122

SCHEMBL7775122

CCCCCNC(C)CCC

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
EPHX1 P07099 5/20 0.40
ADH1B P00325 3/20 0.39
ADH1C P00326 3/20 0.39
ADH1A P07327 3/20 0.39
ADH7 P40394 3/20 0.39
ADH4 P08319 2/20 0.39
OPRM1 P35372 1/20 0.39
ADRB2 P07550 4/20 0.36
TP53 P04637 1/20 0.35
DPP7 Q9UHL4 1/20 0.35

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
SCHEMBL24927982 1.00 TSHR (0.43) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL25492666 1.00 TSHR (0.43) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL7770644 0.98 EPHX1 (0.44) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL7775229 0.98 EPHX1 (0.44) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL18596246 0.98 EPHX1 (0.44) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL11150782 0.98 EPHX1 (0.44) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL19006418 0.98 EPHX1 (0.44) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL25100338 0.98 EPHX1 (0.44) TSHRALDH1A1EPHX1ADH1BADH1C
Hydrochloric Acid SCHEMBL22575381 0.98 TSHR (0.42) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL25588095 0.98 EPHX1 (0.44) TSHRALDH1A1EPHX1ADH1BADH1C

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104024258-B Pyrrolopyrazine kinase inhibitors 霍夫曼-拉罗奇有限公司 2017-02-15 CN claimed
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF ARBUTUS BIOPHARMA CORP (CA) 2023-10-05 US disclosed
US-20210188763-A1 COMPOUNDS AND METHODS FOR HEMATOPOIETIC REGENERATION UNIV CALIFORNIA (US) 2021-06-24 US disclosed
US-10822299-B2 Compounds and methods for hematopoietic regeneration THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-11-03 US disclosed
EP-3717450-A1 COMPOUNDS AND METHODS FOR HEMATOPOIETIC REGENERATION The Regents of the University of California (US) 2020-10-07 EP disclosed
US-20190292132-A1 COMPOUNDS AND METHODS FOR HEMATOPOIETIC REGENERATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-09-26 US disclosed
EP-3464236-A1 COMPOUNDS AND METHODS FOR HEMATOPOIETIC REGENERATION The Regents of the University of California (US) 2019-04-10 EP disclosed
WO-2017205795-A1 COMPOUNDS AND METHODS FOR HEMATOPOIETIC REGENERATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-30 WO disclosed
US-20080279500-A1 Method for Producing J Aggregates CSEM CENTRE SUISSE D'ELECTRONIQUE ET DE MICROTECH (CH) 2008-11-13 US disclosed
EP-0838508-B1 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORP (JP) 2001-08-29 EP disclosed
US-5871572-A COLORANT, WATER, A WATER-SOLUBLE ORGANIC SOLVENT, AND PECTIC ACID SEIKO EPSON CORPORATION (JP) 1999-02-16 US disclosed
WO-1998037078-A1 SOLID PHASE AND COMBINATORIAL SYNTHESIS OF SUBSTITUTED THIOPHENES AND OF ARRAYS OF SUBSTITUTED THIOPHENES NOVO NORDISK A/S (DK) 1998-08-27 WO disclosed
EP-0838508-A2 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORPORATION (JP) 1998-04-29 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 (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-20210188763-A1 COMPOUNDS AND METHODS FOR HEMATOPOIETIC REGENERATION HGF, CXCL12, CCL11 TSHR 4417/4885ALDH1A1 514/4885EPHX1 144/4885
US-20190292132-A1 COMPOUNDS AND METHODS FOR HEMATOPOIETIC REGENERATION HGF, CXCL12, CCL11 TSHR 4417/4885ALDH1A1 514/4885EPHX1 144/4885
US-10822299-B2 Compounds and methods for hematopoietic regeneration HGF, CXCL12, CCL11 TSHR 4417/4885ALDH1A1 514/4885EPHX1 144/4885
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF NSD3, PML, NSD1 TSHR 3398/4885ALDH1A1 3447/4885EPHX1 4597/4885

“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.