SCHEMBL4923541

SCHEMBL4923541

Cc1cccc(-c2ccc(C(=O)O)cc2C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.56
FOLH1 Q04609 2/20 0.55
PTPN11 Q06124 1/20 0.50
DHODH Q02127 1/20 0.50
IP6K1 Q92551 1/20 0.50
IP6K3 Q96PC2 1/20 0.50
IP6K2 Q9UHH9 1/20 0.50
AKR1C2 P52895 4/20 0.49
AKR1C1 Q04828 1/20 0.49
POLB P06746 2/20 0.47
KMO O15229 2/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
AKR1C3 P42330 3/20 0.46
DDT P30046 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
KDM5A P29375 1/20 0.44
KDM4C Q9H3R0 1/20 0.44

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
SCHEMBL4366968 0.87 FOLH1 (0.62) CNR2FOLH1PTPN11DHODHAKR1C2
SCHEMBL29042413 0.86 FOLH1 (0.69) FOLH1PTPN11AKR1C2KMORXRA
SCHEMBL29369877 0.86 FOLH1 (0.69) FOLH1PTPN11AKR1C2KMORXRA
SCHEMBL122524 0.85 CNR2 (0.57) CNR2DHODHIP6K1IP6K3IP6K2
SCHEMBL8771736 0.84 HSD17B10 (0.62) CNR2FOLH1AKR1C2AKR1C1POLB
SCHEMBL594370 0.83 FOLH1 (0.59) FOLH1PTPN11POLBKMO
SCHEMBL25598474 0.83 CNR2 (0.55) CNR2DHODHIP6K1IP6K3IP6K2
SCHEMBL26464789 0.82 GRIK1 (0.55) CNR2DHODHIP6K1IP6K3IP6K2
SCHEMBL30361685 0.81 L3MBTL1 (0.59) CNR2AKR1C2AKR1C1POLBKMO
SCHEMBL268963 0.81 L3MBTL1 (0.59) CNR2AKR1C2AKR1C1POLBKMO

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 CNR2 32/4885FOLH1 1132/4885PTPN11 3796/4885
US-20080200551-A1 Flourene Derivative HTR2B, HTR7, HTR2C CNR2 52/4885FOLH1 1070/4885PTPN11 2260/4885
US-20080171788-A1 Medicament For Irritable Bowel Syndrome HTR7, HTR5A, HTR3B CNR2 64/4885FOLH1 1280/4885PTPN11 3127/4885

“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.