SCHEMBL15912459

SCHEMBL15912459

CCC1CCC(c2ccc3cc(O)ccc3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
ESR2 Q92731 10/20 0.49
ESR1 P03372 6/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2D6 P10635 1/20 0.44
DRD2 P14416 3/20 0.42
OPRL1 P41146 1/20 0.39
DRD3 P35462 1/20 0.38
CYP1A2 P05177 1/20 0.37

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
SCHEMBL3173300 0.88 ESR2 (0.51) SLC6A4SLC6A2SLC6A3ESR2ESR1
SCHEMBL3173307 0.88 ESR2 (0.51) SLC6A4SLC6A2SLC6A3ESR2ESR1
SCHEMBL5478613 0.83 ESR2 (0.69) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL8568671 0.83 ESR2 (0.69) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL11134743 0.82 CYP2A6 (0.43) SLC6A4SLC6A2SLC6A3ESR2ESR1
SCHEMBL11134749 0.82 CYP2A6 (0.43) SLC6A4SLC6A2SLC6A3ESR2ESR1
SCHEMBL11138918 0.81 CYP1A2 (0.46) SLC6A4SLC6A2SLC6A3ESR2ESR1
SCHEMBL11138912 0.81 CYP1A2 (0.46) SLC6A4SLC6A2SLC6A3ESR2ESR1
SCHEMBL11139987 0.81 ALDH1A1 (0.43) SLC6A4SLC6A2SLC6A3ESR2ESR1
SCHEMBL11139989 0.81 ALDH1A1 (0.43) SLC6A4SLC6A2SLC6A3ESR2ESR1

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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 SLC6A4 3428/4885SLC6A2 3165/4885SLC6A3 3498/4885
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 SLC6A4 3428/4885SLC6A2 3165/4885SLC6A3 3498/4885

“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.