SCHEMBL16201781

SCHEMBL16201781

C=CC[C@@H](C(=O)OC)[C@H](O)CCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
HPGD P15428 1/20 0.40
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38

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
SCHEMBL16201772 1.00 TSHR (0.41) TSHRSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL6822889 0.91 FAAH (0.44) MAPTMMP2MMP3
SCHEMBL1975707 0.85 MAPT (0.40) TSHRSMN1; SMN2KMT2AMEN1HTT
SCHEMBL1114734 0.85 MAPT (0.40) TSHRSMN1; SMN2KMT2AMEN1HTT
SCHEMBL16201788 0.84 CYP2C19 (0.46) TSHRMAPTCYP2C19MMP2CNR2
SCHEMBL16201771 0.84 CYP2C19 (0.46) TSHRMAPTCYP2C19MMP2CNR2
SCHEMBL16201797 0.84 FAAH (0.40) SMN1; SMN2ALDH1A1HPGDMAPTGAA
SCHEMBL16201773 0.82 CYP2C19 (0.41) TSHRKMT2AMETAP2METAP1MAPT
SCHEMBL16201776 0.82 CYP2C19 (0.41) TSHRKMT2AMETAP2METAP1MAPT
SCHEMBL16201780 0.77 CYP2C19 (0.47) TSHRMAPTCYP2C19MMP2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140323457-A1 BETA-O/S/N FATTY ACID BASED COMPOUNDS AS ANTIBACTERIAL AND ANTIPROTOZOAL AGENTS Technische Universität München (DE) 2014-10-30 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 (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-20140323457-A1 BETA-O/S/N FATTY ACID BASED COMPOUNDS AS ANTIBACTERIAL AND ANTIPROTOZOAL AGENTS FASN, DEGS1, EBP TSHR 4582/4885SMN1; SMN2 4244/4885KMT2A 4491/4885

“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.