SCHEMBL731949

SCHEMBL731949

CCOc1cc(C(=O)O)cc(OCC)c1-c1ccc(F)nc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
SSTR5 P35346 14/20 0.43
MAPT P10636 1/20 0.42
KCNH2 Q12809 2/20 0.41
POLB P06746 2/20 0.41
CASP6 P55212 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL731564 0.81 TSHR (0.47) TSHRSSTR5MAPTKCNH2POLB
SCHEMBL1501518 0.75 TSHR (0.56) TSHRSSTR5MAPTPOLBCASP6
SCHEMBL731315 0.75 ROCK2 (0.47) TSHRMAPTPOLBCASP6ALOX15
SCHEMBL1501437 0.74 TSHR (0.46) TSHRSSTR5KCNH2
SCHEMBL1501611 0.74 TSHR (0.46) TSHRSSTR5POLBALOX15HTT
SCHEMBL732774 0.74 TSHR (0.44) TSHRSSTR5MAPTPOLBCASP6
SCHEMBL731308 0.73 MAP4K4 (0.45) TSHRSSTR5MAPTPOLBALOX15
SCHEMBL730596 0.73 TSHR (0.41) TSHRSSTR5MAPTPOLBCASP6
SCHEMBL25902223 0.72 POLB (0.48) TSHRSSTR5MAPTPOLBCASP6
SCHEMBL10111306 0.71 SSTR5 (0.48) SSTR5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
EP-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 TSHR 680/4885SSTR5 2223/4885MAPT 4484/4885

“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.