SCHEMBL9900281

SCHEMBL9900281

OC1(c2ccccc2)C(c2ccccc2)CC(c2ccccc2)C1(O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 16/20 0.48
MAOA P21397 13/20 0.48
MAOB P27338 13/20 0.48
CHRM1 P11229 1/20 0.41
PTGS2 P35354 1/20 0.38
RCOR1 Q9UKL0 2/20 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
SCHEMBL9065850 0.75 KDM1A (0.42) KDM1AMAOAMAOBPTGS2
SCHEMBL28928223 0.70 MAPK1 (0.46) KDM1AMAOAMAOB
SCHEMBL15754675 0.69 CHRM1 (0.59) KDM1AMAOAMAOBCHRM1
SCHEMBL29073129 0.69 CHRM1 (0.51) KDM1AMAOAMAOBCHRM1RCOR1
SCHEMBL7549278 0.69 CHRM1 (0.59) KDM1AMAOAMAOBCHRM1
SCHEMBL5998298 0.68 KDM1A (0.57) KDM1AMAOAMAOBRCOR1
SCHEMBL2640738 0.68 KDM1A (0.61) KDM1AMAOAMAOB
SCHEMBL28223342 0.68 TRPA1 (0.45) KDM1AMAOAMAOBPTGS2
SCHEMBL1535881 0.67 SLC6A9 (0.43) KDM1AMAOAMAOB
SCHEMBL6628664 0.67 CHRM1 (0.56) KDM1AMAOAMAOBCHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2648675-A1 HAIR RELAXING AND STRAIGHTENING COMPOSITIONS International Flora Technologies, Ltd. (US) 2013-10-16 EP disclosed
WO-2012078658-A1 HAIR RELAXING AND STRAIGHTENING COMPOSITIONS INTERNATIONAL FLORA TECHNOLOGIES, LTD. (US) 2012-06-14 WO disclosed
US-20120148517-A1 Hair Relaxing and Straightening Compositions INTERNATIONAL FLORA TECHNOLOGIES, LTD. (US) 2012-06-14 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 (1 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-20120148517-A1 Hair Relaxing and Straightening Compositions PDE6G, SHH, DNMT3L KDM1A 198/4885MAOA 697/4885MAOB 916/4885

“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.