SCHEMBL3598904

SCHEMBL3598904

CC1(C)CCCC(O)(CC(=O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 2/20 0.34
TSHR P16473 2/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
BLM P54132 1/20 0.34
CACNA2D1 P54289 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
P2RX7 Q99572 3/20 0.32
APLNR P35414 1/20 0.31
AKR1B1 P15121 1/20 0.31
IL1B P01584 1/20 0.31
FFAR3 O14843 1/20 0.30

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
SCHEMBL322137 0.80
SCHEMBL7823163 0.78 ALDH1A1 (0.48) CYP2C19CYP1A2TSHRUSP2ALDH1A1
SCHEMBL7551488 0.78 CYP2C19 (0.38) CYP2C19CYP1A2TSHRUSP2ALDH1A1
SCHEMBL2941358 0.75 CYP2C19 (0.52) CYP2C19CYP1A2TSHRUSP2ALDH1A1
SCHEMBL14272175 0.74
SCHEMBL17835226 0.74
SCHEMBL17835229 0.74
SCHEMBL1555451 0.73 CYP2C19 (0.56) CYP2C19CYP1A2TSHRUSP2ALDH1A1
SCHEMBL304486 0.73 CYP2C19 (0.56) CYP2C19CYP1A2TSHRUSP2ALDH1A1
SCHEMBL27683934 0.73 CYP2C19 (0.56) CYP2C19CYP1A2TSHRUSP2ALDH1A1

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
US-20100298285-A1 Biclycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof RENOVIS, INC. 2010-11-25 US disclosed
WO-2007109182-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO 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-20100298285-A1 Biclycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX1 CYP2C19 1386/4885CYP1A2 1650/4885TSHR 4030/4885

“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.