SCHEMBL2491668

SCHEMBL2491668

CCCCN(CCCC)c1ccc(Cc2ccc(N(CCCC)CCCC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NR1H2 P55055 5/20 0.44
NR1H3 Q13133 5/20 0.44
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
CNR2 P34972 2/20 0.43
MAPT P10636 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
AR P10275 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
SCHEMBL1723136 0.94 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL7153351 0.89 EGFR (0.50) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL11803623 0.87 NR1H2 (0.44) ALDH1A1NR1H2NR1H3EGFRERBB2
SCHEMBL2492761 0.86 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL7932826 0.85 CA2 (0.47) ALDH1A1CYP3A4TSHREGFRERBB2
SCHEMBL17663681 0.84 EGFR (0.47) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL768272 0.84 EGFR (0.47) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL2014159 0.84 EGFR (0.47) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL20226249 0.83 NR1H2 (0.36) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL20161341 0.83 MAPT (0.43) ALDH1A1CYP3A4TSHRMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117164469-A Preparation method of milone derivative 杭华油墨股份有限公司 2023-12-05 CN disclosed
EP-2380567-B1 MELANIN PRODUCTION INHIBITOR POLA CHEM IND INC (JP) 2019-01-16 EP disclosed
US-20160356723-A1 Light-Up Probes Based On Fluorogens With Aggregation Induced Emission Characteristics For Cellular Imaging And Drug Screening NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-12-08 US disclosed
US-20160356723-A1 Light-Up Probes Based On Fluorogens With Aggregation Induced Emission Characteristics For Cellular Imaging And Drug Screening NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-12-08 US disclosed
EP-3009123-A1 MELANIN PRODUCTION INHIBITOR Pola Chemical Industries Inc. (JP) 2016-04-20 EP disclosed
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2015-11-19 US disclosed
WO-2015112092-A2 LIGHT-UP PROBES BASED ON FLUOROGENS WITH AGGREGATION INDUCED EMISSION CHARACTERISTICS FOR CELLULAR IMAGING AND DRUG SCREENING NATIONAL UNIVERSITY OF SINGAPORE (SG) 2015-07-30 WO disclosed
EP-2845587-A2 Melanin production inhibitor Pola Chemical Industries Inc. (JP) 2015-03-11 EP disclosed
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2014-12-11 US disclosed
US-8846012-B2 Melanin production inhibitor POLA CHEMICAL INDUSTRIES INC. (JP) 2014-09-30 US disclosed
EP-2380567-A1 MELANIN PRODUCTION INHIBITOR Pola Chemical Industries Inc. (JP) 2011-10-26 EP disclosed
US-20110243865-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2011-10-06 US 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-20160356723-A1 Light-Up Probes Based On Fluorogens With Aggregation Induced Emission Characteristics For Cellular Imaging And Drug Screening FOLH1, GGT1, GSTP1 ALDH1A1 117/4885CYP3A4 194/4885TSHR 3518/4885
US-20110243865-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, TH ALDH1A1 1292/4885CYP3A4 115/4885TSHR 100/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 ALDH1A1 1031/4885CYP3A4 106/4885TSHR 75/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R ALDH1A1 1187/4885CYP3A4 104/4885TSHR 68/4885

“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.