SCHEMBL10170783

SCHEMBL10170783

O=COc1ccc2c(c1)C1CCC2c2cc(C(=O)O)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MRGPRX4 Q96LA9 3/20 0.39
KMO O15229 1/20 0.37
KDM4E B2RXH2 1/20 0.36
RARG P13631 2/20 0.36
RARB P10826 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
MAPT P10636 1/20 0.35
UNG P13051 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
CREBBP Q92793 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL10170781 0.83 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3KMOKDM4E
SCHEMBL11169652 0.83 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3KMOKDM4E
SCHEMBL18504202 0.77 KMT2A (0.37) KDM4ETDP1MAPTALDH1A1LMNA
SCHEMBL18504204 0.75 SRD5A2 (0.36) KDM4ETDP1MAPTALDH1A1CA1
SCHEMBL12567111 0.75 KDM4E (0.62) MRGPRX4KDM4ERARGRARBALDH1A1
SCHEMBL6054726 0.73 AKR1C3 (0.61) MRGPRX4KMOKDM4EUNGCA1
SCHEMBL6054668 0.72 CA1 (0.56) TDP1ALDH1A1LMNACASP3SENP8
SCHEMBL14182684 0.71 CA1 (0.48) KDM4ETDP1MAPTALDH1A1LMNA
SCHEMBL18504206 0.71 SRD5A2 (0.58) KDM4ETDP1MAPTALDH1A1RXRA
SCHEMBL27851888 0.69 CA1 (0.52) TDP1ALDH1A1LMNACASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150554-B2 Fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-8999967-B2 Tricyclic fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
US-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-07 US disclosed
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-16 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 (2 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-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C HAVCR2, HCCS, LIPC SLC6A4 4698/4885SLC6A2 4750/4885SLC6A3 4345/4885
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C HAVCR2, HCCS, ZC3HAV1 SLC6A4 4801/4885SLC6A2 4783/4885SLC6A3 4489/4885

“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.