SCHEMBL21973237

SCHEMBL21973237

C=C(CC)Nc1cc(CC)ccc1CC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
PKM P14618 1/20 0.34
ALOX12 P18054 1/20 0.34
CYP2C19 P33261 1/20 0.34
PLK1 P53350 1/20 0.33
MTNR1A P48039 1/20 0.33
SRC P12931 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
NLRP1 Q9C000 1/20 0.33
METAP2 P50579 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL14221800 0.77 MAPT (0.54) KMT2AMEN1MAPTPKMALDH1A1
SCHEMBL11658497 0.76 HPGD (0.47) KMT2AMEN1MAPTRAB9ACYP1A2
SCHEMBL29196075 0.75 TRPA1 (0.41) TRPA1MAPTRAB9ACYP1A2PLK1
SCHEMBL18780287 0.72 CYP1A2 (0.44) KMT2AMEN1MAPTRAB9ACYP1A2
SCHEMBL28856302 0.72 MAPT (0.41) TRPA1MAPTRAB9ACYP1A2PLK1
SCHEMBL1829609 0.72 HDAC8 (0.40) TRPA1KMT2AMEN1MAPTRAB9A
SCHEMBL10541651 0.72 HDAC8 (0.40) TRPA1MAPTRAB9ACYP1A2CYP3A4
SCHEMBL23864715 0.71 ALDH1A1 (0.34) KMT2AMAPTRAB9ACYP1A2CYP3A4
Bromide SCHEMBL20984475 0.71 MAPT (0.40) TRPA1MAPTRAB9ACYP1A2PLK1
Hydrochloric Acid SCHEMBL20984391 0.71 MAPT (0.40) TRPA1MAPTRAB9ACYP1A2PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200140453-A1 COMPOSITIONS AND METHODS OF MODULATING 15-PGDH ACTIVITY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-05-07 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-20200140453-A1 COMPOSITIONS AND METHODS OF MODULATING 15-PGDH ACTIVITY PTGS1, HPGD, PTGIS TRPA1 4427/4885KMT2A 4177/4885MEN1 4530/4885

“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.