SCHEMBL10079928

SCHEMBL10079928

NNCC1CCCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.48
ADH1C P00326 1/20 0.48
ADH1A P07327 1/20 0.48
ADH4 P08319 1/20 0.48
ADH7 P40394 1/20 0.48
CYP2D6 P10635 1/20 0.43
EPHX1 P07099 2/20 0.43
CHRM5 P08912 3/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
CA9 Q16790 1/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL26584202 1.00 ADH1B (0.48) ADH1BADH1CADH1AADH4ADH7
Cimemoxin SCHEMBL2108333 1.00
SCHEMBL6861640 1.00 ADH1B (0.48) ADH1BADH1CADH1AADH4ADH7
Hydrochloric Acid SCHEMBL360226 0.97 ADH1B (0.46) ADH1BADH1CADH1AADH4ADH7
Cimemoxin SCHEMBL359799 0.97 ADH1B (0.46) ADH1BADH1CADH1AADH4ADH7
Cimemoxin SCHEMBL11357294 0.97 ADH1B (0.46) ADH1BADH1CADH1AADH4ADH7
SCHEMBL6072682 0.97
Hydrochloric Acid SCHEMBL360832 0.94 ADH1B (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL5095671 0.91
Hydrochloric Acid SCHEMBL359603 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321228-A1 VACCINE ADJUVANTS AND METHODS OF SYNTHESIZING AND USING THE SAME EUAGORE, LLC 2023-10-12 US disclosed
US-11312688-B2 Pyrazole compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-04-26 US disclosed
US-20200308119-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2020-10-01 US disclosed
US-10723703-B2 Pyrazole compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-07-28 US disclosed
US-20190084938-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2019-03-21 US disclosed
US-10183913-B2 Pyrazole compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-01-22 US disclosed
US-20170217902-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2017-08-03 US disclosed
US-20170217902-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2017-08-03 US disclosed
US-9663472-B2 Pyrazole compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-05-30 US disclosed
US-9663472-B2 Pyrazole compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-05-30 US disclosed
US-8809383-B2 Pyrazole compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-08-19 US disclosed
US-8809383-B2 Pyrazole compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-08-19 US disclosed
US-20140031406-A1 PYRAZOLE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-01-30 US disclosed
US-20140031406-A1 PYRAZOLE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-01-30 US disclosed
US-8569353-B2 Pyrazole compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-10-29 US disclosed
US-8569353-B2 Pyrazole compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-10-29 US disclosed
EP-2594559-A1 PYRAZOLE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-05-22 EP disclosed
US-20130116296-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2013-05-09 US disclosed
US-20130116296-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2013-05-09 US disclosed
WO-2012008528-A1 PYRAZOLE COMPOUND 大日本住友製薬株式会社 (JP) 2012-01-19 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 (9 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-10183913-B2 Pyrazole compound HTR2C, HTR3B, HTR3A ADH1B 2520/4885ADH1C 1663/4885ADH1A 1451/4885
US-20170217902-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A ADH1B 2520/4885ADH1C 1663/4885ADH1A 1451/4885
US-11312688-B2 Pyrazole compound HTR2C, HTR3B, HTR3A ADH1B 2520/4885ADH1C 1663/4885ADH1A 1451/4885
US-20130116296-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A ADH1B 2520/4885ADH1C 1663/4885ADH1A 1451/4885
US-20200308119-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A ADH1B 2520/4885ADH1C 1663/4885ADH1A 1451/4885
US-20230321228-A1 VACCINE ADJUVANTS AND METHODS OF SYNTHESIZING AND USING THE SAME MYD88, TLR9, TLR5 ADH1B 2382/4885ADH1C 4811/4885ADH1A 4697/4885
US-10723703-B2 Pyrazole compound HTR2C, HTR3B, HTR3A ADH1B 2520/4885ADH1C 1663/4885ADH1A 1451/4885
US-20190084938-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A ADH1B 2520/4885ADH1C 1663/4885ADH1A 1451/4885
US-20140031406-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A ADH1B 2520/4885ADH1C 1663/4885ADH1A 1451/4885

“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.