SCHEMBL22503546

SCHEMBL22503546

Cc1cc(C)cc(OCC2CCCO2)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.59
LMNA P02545 3/20 0.52
POLB P06746 3/20 0.52
RAB9A P51151 6/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
NPC1 O15118 5/20 0.51
MAPT P10636 2/20 0.51
MAOA P21397 1/20 0.50
SLC6A2 P23975 1/20 0.50
GRM5 P41594 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL12819945 0.84 RAB9A (0.53) HPGDLMNAPOLBRAB9ASMN1; SMN2
SCHEMBL12818254 0.84 RAB9A (0.53) HPGDLMNAPOLBRAB9ASMN1; SMN2
SCHEMBL15262428 0.84 RAB9A (0.46) HPGDLMNAPOLBRAB9ASMN1; SMN2
SCHEMBL1710059 0.83 RAB9A (0.68) HPGDLMNAPOLBRAB9ASMN1; SMN2
SCHEMBL15985671 0.83 GRM5 (0.47) HPGDLMNARAB9ASMN1; SMN2NPC1
SCHEMBL6363488 0.80 ALDH1A1 (0.58) HPGDLMNAPOLBSMN1; SMN2MAPT
SCHEMBL30880540 0.80 HPGD (0.49) HPGDLMNARAB9ASMN1; SMN2NPC1
SCHEMBL4973001 0.80 HPGD (0.49) HPGDLMNARAB9ASMN1; SMN2NPC1
SCHEMBL12819942 0.80 SMN1; SMN2 (0.51) HPGDLMNAPOLBRAB9ASMN1; SMN2
SCHEMBL12819385 0.80 SMN1; SMN2 (0.51) HPGDLMNAPOLBRAB9ASMN1; SMN2

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-10793530-B2 Benzylaminopyrazinylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-10-06 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-10793530-B2 Benzylaminopyrazinylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof GPR119, GPR65, GPR52 HPGD 1635/4885LMNA 3079/4885POLB 4559/4885

“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.