SCHEMBL2900302

SCHEMBL2900302

CCCCCCCCCCCCCCCCCCOCN(C)CCCO

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HTT P42858 2/20 0.52
THRB P10828 1/20 0.52
MAPT P10636 1/20 0.52
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
USP2 O75604 1/20 0.42
SPHK1 Q9NYA1 1/20 0.41
CES2 O00748 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
LSS P48449 1/20 0.37
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 1/20 0.37
CES1 P23141 1/20 0.37

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
SCHEMBL7351088 0.95 MEN1 (0.50) MEN1KMT2AHTTTHRBMAPT
SCHEMBL7350423 0.93 MEN1 (0.47) MEN1KMT2AHTTTHRBMAPT
SCHEMBL7286646 0.85 MEN1 (0.41) MEN1KMT2AHTTTHRBMAPT
SCHEMBL19835199 0.84 HTT (0.43) MEN1KMT2AHTTTHRBMAPT
SCHEMBL9658698 0.84 HTT (0.43) MEN1KMT2AHTTTHRBMAPT
SCHEMBL19835254 0.84 HTT (0.43) MEN1KMT2AHTTTHRBMAPT
SCHEMBL5892540 0.82 TSHR (0.52) MEN1KMT2AHTTTHRBMAPT
SCHEMBL27473945 0.81 MEN1 (0.61) MEN1KMT2AHTTTHRBMAPT
SCHEMBL7285766 0.80 S1PR2 (0.40) MEN1KMT2AHTTTHRBMAPT
SCHEMBL16608924 0.80 GPR84 (0.50) MEN1KMT2AMAPTTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100284956-A1 HAIR COSMETIC COMPOSITION KAO CORPORATION (JP) 2010-11-11 US disclosed
EP-2229933-A1 HAIR COSMETIC COMPOSITION Kao Corporation (JP) 2010-09-22 EP disclosed
US-20100111885-A1 Hair-Shape Controlling Composition SHISEIDO COMPANY, LTD. (JP) 2010-05-06 US disclosed
EP-2123250-A1 HAIR-SHAPE CONTROLLING COMPOSITION Shiseido Company, Limited (JP) 2009-11-25 EP disclosed
US-20070166272-A1 HAIR COSMETIC COMPOSITIONS AND PROCESS FOR PRODUCING THE SAME KAO CORPORATION (JP) 2007-07-19 US disclosed
EP-1808157-A1 Hair cosmetic compositions and process for producing the same Kao Corporation (JP) 2007-07-18 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 (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-20100284956-A1 HAIR COSMETIC COMPOSITION ADH1A, ADH1C, H1-0 MEN1 1399/4885KMT2A 1061/4885HTT 626/4885
US-20100111885-A1 Hair-Shape Controlling Composition DNMT3A, OGG1, DNMT1 MEN1 4575/4885KMT2A 198/4885HTT 221/4885
US-20070166272-A1 HAIR COSMETIC COMPOSITIONS AND PROCESS FOR PRODUCING THE SAME CUTA, SHH, POLR1C MEN1 1290/4885KMT2A 1655/4885HTT 390/4885

“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.