SCHEMBL3720182

SCHEMBL3720182

COC(=O)c1cocc1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
KDM4E B2RXH2 5/20 0.40
POLB P06746 2/20 0.38
RAB9A P51151 1/20 0.38
ERN1 O75460 4/20 0.38
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
CFTR P13569 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL69871 0.81 TSHR (0.46) ALDH1A1KDM4EPOLBLMNATSHR
SCHEMBL30954403 0.80 ALDH1A1 (0.40) ALDH1A1KDM4EPOLBRAB9AERN1
SCHEMBL9148724 0.75 MAPT (0.48) ALDH1A1KDM4EPOLBLMNATSHR
SCHEMBL10525880 0.75 LDHA (0.34) ALDH1A1KDM4EPOLBERN1LMNA
SCHEMBL16289486 0.74 ALDH1A1 (0.41) ALDH1A1KDM4EPOLBLMNATSHR
SCHEMBL20176826 0.74 TSHR (0.41) ALDH1A1KDM4EPOLBLMNATSHR
SCHEMBL201394 0.74 TSHR (0.41) ALDH1A1KDM4EPOLBLMNATSHR
SCHEMBL19990752 0.72 ERN1 (0.44) ALDH1A1KDM4EPOLBRAB9AERN1
SCHEMBL12906690 0.72 ALDH1A1 (0.52) ALDH1A1KDM4EPOLBLMNATSHR
SCHEMBL31325743 0.72 SOS1 (0.41) ALDH1A1KDM4EPOLBRAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010120345-A1 METABOLICALLY INERT ANTIFOLATES: NEW INDICATIONS AND FORMULATIONS NAIR MADHAVAN G (US) 2010-10-21 WO disclosed
US-20100260825-A1 Antifolates for the treatment of cardiovascular, inflammatory, neoplastic, autoimmune and related diseases in sublingual dosage units, film strips, or skin patches NAIR MADHAVAN G 2010-10-14 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-20100260825-A1 Antifolates for the treatment of cardiovascular, inflammatory, neoplastic, autoimmune and related diseases in sublingual dosage units, film strips, or skin patches SLC19A1, TPMT, DHFR ALDH1A1 851/4885KDM4E 965/4885POLB 2288/4885

“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.