SCHEMBL3800822

SCHEMBL3800822

O=C1Cc2ccccc2C(O)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
ANPEP P15144 3/20 0.46
TP53 P04637 1/20 0.43
RECQL P46063 1/20 0.43
HTR2A P28223 3/20 0.42
CYP2A6 P11509 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTR2C P28335 1/20 0.38
HRH1 P35367 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL12228571 0.78
SCHEMBL30968744 0.78
SCHEMBL16870529 0.78 GRIN2D (0.45) HTR2A
SCHEMBL6653008 0.76 CYP1A2 (0.48) CYP1A2ANPEPTP53RECQLHTR2A
SCHEMBL20992176 0.76 CYP1A2 (0.48) CYP1A2ANPEPTP53RECQLHTR2A
SCHEMBL17050195 0.76 ANPEP (0.55) CYP1A2ANPEPTP53RECQLHTR2A
SCHEMBL19368260 0.76 HTR2A (0.44) CYP1A2ANPEPTP53RECQLHTR2A
SCHEMBL291542 0.73 SIGMAR1 (0.50) CYP1A2ANPEPHTR2AGAAMAPT
SCHEMBL17039147 0.72 HTR2A (0.44) CYP1A2ANPEPTP53RECQLHTR2A
SCHEMBL17031841 0.72 CYP1A2 (0.43) CYP1A2ANPEPTP53RECQLHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000535-B2 Template-fixed peptidomimetics POLYPHOR LTD. (CH) 2018-06-19 US disclosed
US-20140107031-A1 TEMPLATE-FIXED PEPTIDOMIMETICS POLYPHOR LTD. (CH) 2014-04-17 US disclosed
US-8633163-B2 Template-fixed peptidomimetics POLYPHOR LTD. (CH) 2014-01-21 US disclosed
US-20100093644-A1 TEMPLATE-FIXED PEPTIDOMIMETICS POLYPHOR LTD. (CH) 2010-04-15 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 (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-20140107031-A1 TEMPLATE-FIXED PEPTIDOMIMETICS CCR10, CXCR3, CCR5 CYP1A2 4687/4885ANPEP 439/4885TP53 2102/4885
US-10000535-B2 Template-fixed peptidomimetics CCR10, CXCR3, CCR5 CYP1A2 4687/4885ANPEP 439/4885TP53 2102/4885
US-20100093644-A1 TEMPLATE-FIXED PEPTIDOMIMETICS CCR10, CXCR3, CCR1 CYP1A2 4690/4885ANPEP 350/4885TP53 1625/4885

“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.