SCHEMBL15912427

SCHEMBL15912427

CC(=O)C1OCCc2cc(Br)ccc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
CAMK2A Q9UQM7 1/20 0.41
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
SRD5A1 P18405 2/20 0.38
TSHR P16473 2/20 0.37
HSD17B3 P37058 3/20 0.36
SRD5A2 P31213 1/20 0.36
HTT P42858 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 2/20 0.34
HPGD P15428 1/20 0.34
YWHAG P61981 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33

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
SCHEMBL23286931 0.86 RAB9A (0.49) RAB9ACAMK2AALDH1A1KMT2ASRD5A1
SCHEMBL31730735 0.84 RAB9A (0.48) RAB9ACAMK2AALDH1A1KMT2ASRD5A1
SCHEMBL15919083 0.81 RAB9A (0.43) RAB9ACAMK2AALDH1A1KMT2ATSHR
SCHEMBL7091098 0.78 CAMK2A (0.39) RAB9ACAMK2AKMT2ASRD5A1HSD17B3
SCHEMBL9682910 0.78 RAB9A (0.56) RAB9AALDH1A1KMT2ATSHRMAPT
SCHEMBL31394626 0.76 SRD5A1 (0.39) RAB9ACAMK2ASRD5A1YWHAG
SCHEMBL27285662 0.76 CAMK2A (0.42) RAB9ACAMK2ASRD5A1SRD5A2HTT
SCHEMBL5090662 0.74 MAPT (0.43) RAB9ACAMK2AALDH1A1KMT2ASRD5A1
SCHEMBL5093605 0.74 MAPT (0.43) RAB9ACAMK2AALDH1A1KMT2ASRD5A1
SCHEMBL30956265 0.73 MEN1 (0.34) RAB9AKMT2AHTTMAPTMAPK1

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 RAB9A 2005/4885CAMK2A 1529/4885ALDH1A1 4135/4885
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 RAB9A 2005/4885CAMK2A 1529/4885ALDH1A1 4135/4885

“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.