SCHEMBL17147283

SCHEMBL17147283

Cc1cccc(C(C(=O)O)C(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.50
CYP2D6 P10635 1/20 0.48
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
PTGS1 P23219 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
CXCR1 P25024 2/20 0.42
CXCR2 P25025 2/20 0.42
PTGS2 P35354 2/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
HIF1A Q16665 2/20 0.42
RECQL P46063 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
PMP22 Q01453 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42

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
Hydrochloric Acid SCHEMBL10920075 0.98 ACP3 (0.49) ACP3CYP2D6AKR1C3AKR1C2PTGS1
SCHEMBL25515020 0.87 ACP3 (0.49) ACP3CYP2D6AKR1C3AKR1C2PTGS1
SCHEMBL10920070 0.83 ACP3 (0.45) ACP3AKR1C3AKR1C2SMN1; SMN2LMNA
SCHEMBL29948859 0.82 PTGS1 (0.61) ACP3AKR1C3AKR1C2PTGS1SMN1; SMN2
SCHEMBL3240938 0.82 PTGS1 (0.61) ACP3AKR1C3AKR1C2PTGS1SMN1; SMN2
SCHEMBL1492650 0.82 PTGS1 (0.61) ACP3AKR1C3AKR1C2PTGS1SMN1; SMN2
SCHEMBL1651840 0.82 PTGS1 (0.61) ACP3AKR1C3AKR1C2PTGS1SMN1; SMN2
SCHEMBL28329651 0.82 AKR1C3 (0.47) CYP2D6AKR1C3AKR1C2PTGS2KDM4E
SCHEMBL66944 0.81 CYP2D6 (0.73) CYP2D6AKR1C3AKR1C2PTGS2LMNA
SCHEMBL5158960 0.81 CYP2D6 (0.73) CYP2D6AKR1C3AKR1C2PTGS2LMNA

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-9334249-B2 Inhibitors of cytomegalovirus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-10 US disclosed
US-20150284348-A1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-08 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 (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-20150284348-A1 INHIBITORS OF CYTOMEGALOVIRUS CDKN1A, CCNA1, IFNAR1 ACP3 4425/4885CYP2D6 3355/4885AKR1C3 2128/4885

“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.