SCHEMBL4918697

SCHEMBL4918697

c1ccc2c(c1)-c1ccccc1C21CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.43
PDK2 Q15119 1/20 0.42
THRB P10828 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 2/20 0.39
S100A4 P26447 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
OPRK1 P41145 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ITGA4 P13612 1/20 0.37
PGR P06401 2/20 0.36
APEX1 P27695 1/20 0.35
HTR2A P28223 3/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
ALDH1A1 P00352 1/20 0.34
DRD2 P14416 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
SCHEMBL29473421 0.89 PGR (0.45) GPR84PDK2THRBTDP1KMT2A
SCHEMBL29470987 0.89 THRB (0.43) GPR84PDK2THRBTDP1KMT2A
SCHEMBL30673333 0.89 PGR (0.45) GPR84PDK2THRBTDP1KMT2A
SCHEMBL4922107 0.89 PGR (0.45) GPR84PDK2THRBTDP1KMT2A
SCHEMBL29470989 0.89 THRB (0.43) GPR84PDK2THRBTDP1KMT2A
SCHEMBL14804305 0.88 GPR84 (0.38) GPR84PDK2THRBTDP1KMT2A
SCHEMBL15543376 0.88 GPR84 (0.38) GPR84PDK2THRBTDP1KMT2A
SCHEMBL5894861 0.87 PGR (0.46) PDK2KDM4EPGRALDH1A1
SCHEMBL29919493 0.87 PGR (0.46) PDK2KDM4EPGRALDH1A1
SCHEMBL8815294 0.85 MEN1 (0.50) GPR84THRBKMT2AS100A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200551-A1 Flourene Derivative ASTELLAS PHARMA INC. (JP) 2008-08-21 US disclosed
US-20080171788-A1 Medicament For Irritable Bowel Syndrome ASTELLAS PHARMA INC. (JP) 2008-07-17 US disclosed
US-20080161419-A1 Prophylactic Antimigraine Agents ASTELLAS PHARMA INC. (JP) 2008-07-03 US disclosed
EP-1852129-A1 REMEDY FOR IRRITABLE BOWEL SYNDROME Astellas Pharma Inc. (JP) 2007-11-07 EP disclosed
EP-1728784-A1 FLUORENE DERIVATIVE Astellas Pharma Inc. (JP) 2006-12-06 EP disclosed
EP-1716867-A1 PREVENTIVES FOR MIGRAINE Astellas Pharma Inc. (JP) 2006-11-02 EP 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 (3 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-20080161419-A1 Prophylactic Antimigraine Agents HTR2B, HTR7, HTR1A GPR84 473/4885PDK2 4410/4885THRB 861/4885
US-20080200551-A1 Flourene Derivative HTR2B, HTR7, HTR2C GPR84 507/4885PDK2 4775/4885THRB 751/4885
US-20080171788-A1 Medicament For Irritable Bowel Syndrome HTR7, HTR5A, HTR3B GPR84 142/4885PDK2 4110/4885THRB 726/4885

“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.