SCHEMBL4937199

SCHEMBL4937199

CCCCCCOc1c(O)ccc(CC)c1CC.c1cnnnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
KDM4A O75164 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
NR5A1 Q13285 1/20 0.37
SMPD1 P17405 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
LMNA P02545 4/20 0.35
TSHR P16473 1/20 0.35
TYR P14679 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
NR1I2 O75469 1/20 0.35
CHRM2 P08172 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADRA2A P08913 1/20 0.35
OPRK1 P41145 1/20 0.35
HTR2B P41595 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KMT2A Q03164 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
Anisole SCHEMBL29041606 0.91 TRPV1 (0.36) KDM4EKDM4AKDM4CNR5A1TRPV1
Guaiacol SCHEMBL268884 0.90 CNR1 (0.40) LMNATSHRMAPTMEN1NR1I2
SCHEMBL148645 0.89 NR5A1 (0.45) NR5A1SMPD1TRPV1TSHRTYR
SCHEMBL29362798 0.89 NR5A1 (0.45) NR5A1SMPD1TRPV1TSHRTYR
SCHEMBL16167434 0.86 TRPV1 (0.37) KDM4EKDM4AKDM4CTRPV1
SCHEMBL29286378 0.84 BID (0.42) KDM4EKDM4AKDM4CNR5A1ALDH1A1
SCHEMBL28600064 0.82 LTB4R (0.36) KDM4EKDM4AKDM4C
SCHEMBL28906320 0.81 TSHR (0.34) KDM4EKDM4AKDM4CSMPD1TRPV1
SCHEMBL2581947 0.81 CETP (0.38) KDM4EKDM4AKDM4CNR5A1LMNA
SCHEMBL1087342 0.81 ELANE (0.37) KDM4ETRPV1ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113692279-A Topical composition for thermal protection and method of making same 利尔迪企业有限责任公司 2021-11-23 CN disclosed
CN-113536524-A Computer-based method for determining sunscreen compositions containing UV filter material 帝斯曼知识产权管理有限公司 2021-10-22 CN disclosed
CN-111819293-A Nanobubsomes derived from bacteria of the lactobacillus species and uses thereof MD保健株式会社 2020-10-23 CN disclosed
CN-111225656-A Cosmetic composition for fine dust barrier 株式会社LG生活健康 2020-06-02 CN disclosed
US-10226413-B2 Solution solubilization composition of insoluble material and method for solubilizing insoluble material using same DAMY CHEMICAL CO., LTD. (KR) 2019-03-12 US disclosed
US-20160250129-A1 SOLUTION SOLUBILIZATION COMPOSITION OF INSOLUBLE MATERIAL AND METHOD FOR SOLUBILIZING INSOLUBLE MATERIAL USING SAME DKBIO CO., LTD. (KR) 2016-09-01 US disclosed
US-20080279792-A1 Cosmetic And Dermatological Self-Tanning Formulations Comprising Dihydroxyacetone And Glycerin BEIERSDORF AG (DE) 2008-11-13 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 (3 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-10226413-B2 Solution solubilization composition of insoluble material and method for solubilizing insoluble material using same DDOST, ALG1, PMM2 KDM4E 3541/4885KDM4A 3525/4885KDM4C 3103/4885
US-20080279792-A1 Cosmetic And Dermatological Self-Tanning Formulations Comprising Dihydroxyacetone And Glycerin GNPAT, DERA, TYR KDM4E 3472/4885KDM4A 3157/4885KDM4C 2857/4885
US-20160250129-A1 SOLUTION SOLUBILIZATION COMPOSITION OF INSOLUBLE MATERIAL AND METHOD FOR SOLUBILIZING INSOLUBLE MATERIAL USING SAME DDOST, ALG1, PMM2 KDM4E 3541/4885KDM4A 3525/4885KDM4C 3103/4885

“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.