SCHEMBL3373440

SCHEMBL3373440

CCC(CC)Oc1cc(C(C)=O)ccc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
TSHR P16473 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA7 P43166 1/20 0.49
TPMT P51580 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
MAPK1 P28482 1/20 0.48
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL7355672 0.88 CA12 (0.67) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7391696 0.86 TSHR (0.49) ALDH1A1KMT2AMEN1TSHRCYP1A2
SCHEMBL661271 0.82 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1TSHRCYP1A2
SCHEMBL20631715 0.81 CA12 (0.67) KMT2AMEN1TSHRCYP1A2CYP3A4
SCHEMBL27753902 0.81 TSHR (0.73) ALDH1A1KMT2AMEN1TSHRCYP1A2
SCHEMBL76834 0.81 TSHR (0.73) ALDH1A1KMT2AMEN1TSHRCYP1A2
SCHEMBL29399077 0.81 TSHR (0.73) ALDH1A1KMT2AMEN1TSHRCYP1A2
SCHEMBL10780177 0.81 KDM4E (0.56) ALDH1A1KMT2AMEN1TSHRCYP1A2
SCHEMBL10767951 0.80 HDAC1 (0.53) ALDH1A1KMT2AMEN1TSHRCYP1A2
SCHEMBL20630578 0.80 MAPT (0.60) ALDH1A1KMT2AMEN1TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 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 (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-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI ALDH1A1 517/4885KMT2A 4670/4885MEN1 2985/4885

“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.