SCHEMBL9960657

SCHEMBL9960657

O=C(O)C(C1=CC(O)c2ccccc21)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
THRB P10828 1/20 0.42
CHRM1 P11229 1/20 0.42
TBXA2R P21731 1/20 0.42
PTGS1 P23219 1/20 0.42
ADRA1A P35348 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
CYP2D6 P10635 1/20 0.37
SRC P12931 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 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
SCHEMBL9960701 0.76 CYP1A2 (0.36) MEN1PTGS1KMT2ACYP1A2TSHR
SCHEMBL9960632 0.75 ATM (0.36) KMT2AL3MBTL1CYP1A2TSHRPOLB
SCHEMBL9960819 0.71 LMNA (0.36) MEN1PTGS1KMT2AL3MBTL1CYP1A2
SCHEMBL9960857 0.71 ALDH1A1 (0.39) CYP1A2TSHRCYP2D6MAPK1POLB
Diphenylacetic Acid SCHEMBL38022 0.70 SRC (0.62) MEN1ADORA3THRBCHRM1TBXA2R
Diphenylacetic Acid SCHEMBL8513250 0.70 SRC (0.62) MEN1ADORA3THRBCHRM1TBXA2R
Diphenylacetic Acid SCHEMBL8411440 0.68 SRC (0.59) MEN1ADORA3THRBCHRM1TBXA2R
Diphenylacetic Acid SCHEMBL418537 0.68 SRC (0.59) MEN1ADORA3THRBCHRM1TBXA2R
Diphenylacetic Acid SCHEMBL9485695 0.68 SRC (0.59) MEN1ADORA3THRBCHRM1TBXA2R
Diphenylacetic Acid SCHEMBL9750917 0.68 SRC (0.59) MEN1ADORA3THRBCHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388124-B2 Ingenol-3-acylates I LEO LABORATORIES LIMITED (IE) 2016-07-12 US claimed
US-20130324600-A1 INGENOL-3-ACYLATES I LEO LABORATORIES LIMITED (IE) 2013-12-05 US claimed
EP-2655311-A1 INGENOL-3-ACYLATES I LEO LABORATORIES LIMITED (IE) 2013-10-30 EP claimed
WO-2012085189-A1 INGENOL-3-ACYLATES I LEO PHARMA A/S (DK) 2012-06-28 WO claimed
US-9388124-B2 Ingenol-3-acylates I LEO LABORATORIES LIMITED (IE) 2016-07-12 US disclosed
US-20130324600-A1 INGENOL-3-ACYLATES I LEO LABORATORIES LIMITED (IE) 2013-12-05 US disclosed
EP-2655311-A1 INGENOL-3-ACYLATES I LEO LABORATORIES LIMITED (IE) 2013-10-30 EP disclosed
WO-2012085189-A1 INGENOL-3-ACYLATES I LEO PHARMA A/S (DK) 2012-06-28 WO 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-20130324600-A1 INGENOL-3-ACYLATES I CXCL8, MMP8, CASP8 MEN1 3426/4885ADORA3 330/4885THRB 3310/4885

“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.