SCHEMBL549696

SCHEMBL549696

C=C(C)C(=O)OC(O)C[O]

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.42
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL16592838 0.84 TSHR (0.45) TSHRALDH1A1THRBTDP1
SCHEMBL8966139 0.84 TSHR (0.45) TSHRALDH1A1THRBTDP1
SCHEMBL3503946 0.82 TSHR (0.43) TSHRALDH1A1THRBTDP1
SCHEMBL25040 0.82 TSHR (0.43) TSHRALDH1A1THRBTDP1
SCHEMBL10439986 0.82 TSHR (0.43) TSHRALDH1A1THRBTDP1
SCHEMBL28381594 0.80 TSHR (0.42) TSHRALDH1A1THRB
Methane SCHEMBL7698380 0.80 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL28863905 0.79 TSHR (0.38) TSHRALDH1A1THRB
SCHEMBL10534702 0.78 TSHR (0.45) TSHRALDH1A1THRB
SCHEMBL11046041 0.78 TSHR (0.61) TSHRALDH1A1THRBTDP1

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
US-8110614-B2 Adamantane derivative, method for producing the same, and resin composition containing adamantane derivative IDEMITSU KOSAN CO., LTD. (JP) 2012-02-07 US disclosed
US-20100056663-A1 ADAMANTANE DERIVATIVE, METHOD FOR PRODUCING THE SAME, AND RESIN COMPOSITION CONTAINING ADAMANTANE DERIVATIVE IDEMITSU KOSAN CO., LTD. (JP) 2010-03-04 US disclosed
EP-2090563-A1 ADAMANTANE DERIVATIVE, METHOD FOR PRODUCING THE SAME, AND RESIN COMPOSITION CONTAINING ADAMANTANE DERIVATIVE IDEMITSU KOSAN COMPANY LIMITED (JP) 2009-08-19 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-20100056663-A1 ADAMANTANE DERIVATIVE, METHOD FOR PRODUCING THE SAME, AND RESIN COMPOSITION CONTAINING ADAMANTANE DERIVATIVE ARCN1, RTN3, CHRNA3 TSHR 4644/4885ALDH1A1 312/4885THRB 4848/4885

“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.