SCHEMBL3858145

SCHEMBL3858145

O=Cc1ccc(-c2ccccc2CC(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.48
AKR1B1 P15121 1/20 0.47
DRD1 P21728 3/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
DRD3 P35462 1/20 0.46
PTGER1 P34995 2/20 0.45
PTGER4 P35408 2/20 0.45
PTGER3 P43115 2/20 0.45
PTGER2 P43116 2/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 3/20 0.44
PTGS1 P23219 2/20 0.43
FOLH1 Q04609 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
CYP2A6 P11509 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 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
SCHEMBL5961842 0.84 PTGS1 (0.59) PTGS2AKR1B1PTGER1PTGER4PTGER3
SCHEMBL538512 0.84 KMT2A (0.60) PTGS2AKR1B1PTGER1PTGER4PTGER3
SCHEMBL1997164 0.82 DRD1 (0.51) DRD1DRD2DRD4DRD5DRD3
Ammonia Solution, Strong SCHEMBL27926479 0.82 KMT2A (0.58) PTGS2AKR1B1PTGER1PTGER4PTGER3
SCHEMBL28594606 0.82 KMT2A (0.58) PTGS2AKR1B1PTGER1PTGER4PTGER3
SCHEMBL27701716 0.82 KMT2A (0.58) PTGS2AKR1B1PTGER1PTGER4PTGER3
Hydrochloric Acid SCHEMBL11895689 0.82 KMT2A (0.58) PTGS2AKR1B1PTGER1PTGER4PTGER3
SCHEMBL29512995 0.82 KMT2A (0.58) PTGS2AKR1B1PTGER1PTGER4PTGER3
SCHEMBL8645744 0.82 PTGS1 (0.55) PTGS2AKR1B1PTGER1PTGER4PTGER3
SCHEMBL1919862 0.81 DRD1 (0.46) DRD1DRD2DRD4DRD5DRD3

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-20250325542-A1 INHIBITORS OF ANTIMOCROBIAL RESISTANCE AND METHOS USING SAME BAYLOR COLLEGE MEDICINE (US) 2025-10-23 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-7576215-B2 Quinolines and pharmaceutical compositions thereof WYETH (US) 2009-08-18 US disclosed
EP-1692111-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE Wyeth, A Corporation of the State of Delaware (US) 2006-08-23 EP disclosed
WO-2005058834-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE WYETH (US) 2005-06-30 WO disclosed
US-20050131014-A1 Quinolines useful in treating cardiovascular disease WYETH (US) 2005-06-16 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-20250325542-A1 INHIBITORS OF ANTIMOCROBIAL RESISTANCE AND METHOS USING SAME BPGM, PNMT, DDT PTGS2 1125/4885AKR1B1 3455/4885DRD1 1771/4885
US-20050131014-A1 Quinolines useful in treating cardiovascular disease NR1H2, NR1H3, SREBF1 PTGS2 958/4885AKR1B1 344/4885DRD1 1865/4885

“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.