SCHEMBL6421545

SCHEMBL6421545

C=CCCCC(=O)OCCCCCCC

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.62
DGKA P23743 1/20 0.61
NAAA Q02083 1/20 0.56
HTR2C P28335 1/20 0.54
MGLL Q99685 1/20 0.53
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
DNM1 Q05193 1/20 0.51
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
CNR1 P21554 1/20 0.51
HCAR2 Q8TDS4 1/20 0.49
RAD52 P43351 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
FAAH O00519 2/20 0.48
PAM P19021 2/20 0.47

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
SCHEMBL11445728 1.00 TSHR (0.62) TSHRDGKANAAAHTR2CMGLL
SCHEMBL3117539 0.98 TSHR (0.59) TSHRDGKANAAAHTR2CMGLL
SCHEMBL9615678 0.95 TSHR (0.65) TSHRDGKANAAAHTR2CMGLL
SCHEMBL10457574 0.95 TSHR (0.65) TSHRDGKANAAAHTR2CMGLL
SCHEMBL8661528 0.95 TSHR (0.65) TSHRDGKANAAAHTR2CMGLL
SCHEMBL20869798 0.95 TSHR (0.65) TSHRDGKANAAAHTR2CMGLL
SCHEMBL9852705 0.95 TSHR (0.65) TSHRDGKANAAAHTR2CMGLL
SCHEMBL1856268 0.95 TSHR (0.65) TSHRDGKANAAAHTR2CMGLL
SCHEMBL21983635 0.95 TSHR (0.65) TSHRDGKANAAAHTR2CMGLL
SCHEMBL20500825 0.95 TSHR (0.65) TSHRDGKANAAAHTR2CMGLL

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-20050250674-A1 Nutritional and food supplement preparation comprising creatine and orotic acid complexes, derivatives and analogs AMATO DANIEL 2005-11-10 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-20050250674-A1 Nutritional and food supplement preparation comprising creatine and orotic acid complexes, derivatives and analogs CKMT1A; CKMT1B, OTC, OAT TSHR 4185/4885DGKA 1274/4885NAAA 1262/4885

“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.