SCHEMBL134150

SCHEMBL134150

C[C@@H](C(=O)O)c1ccc2cc(O)ccc2c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 13/20 0.65
AKR1C2 P52895 13/20 0.65
PTGS2 P35354 4/20 0.65
PTGS1 P23219 3/20 0.65
CDC42 P60953 1/20 0.65
RAC1 P63000 1/20 0.65
CYP1A2 P05177 1/20 0.65
TSHR P16473 1/20 0.65
SLC22A6 Q4U2R8 1/20 0.65
AKR1B1 P15121 1/20 0.54
CYP2C9 P11712 2/20 0.53
HSD17B10 Q99714 1/20 0.53
APP P05067 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL1448280 1.00 AKR1C3 (0.65) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL29993492 1.00 AKR1C3 (0.65) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL554068 1.00 AKR1C3 (0.65) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL29993475 1.00 AKR1C3 (0.65) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL13810650 0.89 AKR1C3 (0.53) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL12744140 0.88 AKR1C3 (0.51) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL11470486 0.85 AKR1C3 (0.69) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL10025981 0.83 AKR1B1 (0.69) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL1217681 0.83 AKR1B1 (0.69) AKR1C3AKR1C2PTGS2PTGS1CDC42
Ammonia Solution, Strong SCHEMBL11721423 0.83 AKR1C3 (0.67) AKR1C3AKR1C2PTGS2PTGS1CDC42

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420850-B2 Compounds for the synthesis of biostable polyurethane, polyurea or polyurea urethane polymers Iberhospitex, S.A (ES) 2013-04-16 US disclosed
US-8420850-B2 Compounds for the synthesis of biostable polyurethane, polyurea or polyurea urethane polymers Iberhospitex, S.A (ES) 2013-04-16 US disclosed
US-20120059117-A1 COMPOUNDS FOR THE SYNTHESIS OF BIOSTABLE POLYURETHANE, POLYUREA OR POLYUREA URETHANE POLYMERS IBERHOSPITEX, S.A. 2012-03-08 US disclosed
US-20120059117-A1 COMPOUNDS FOR THE SYNTHESIS OF BIOSTABLE POLYURETHANE, POLYUREA OR POLYUREA URETHANE POLYMERS IBERHOSPITEX, S.A. 2012-03-08 US disclosed
WO-2011141341-A1 COMPOUNDS FOR THE SYNTHESIS OF BIOSTABLE POLYURETHANE, POLYUREA OR POLYUREA URETHANE POLYMERS IBERHOSPITEX, S.A. (ES) 2011-11-17 WO disclosed
US-5250693-A Lipoxygenase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1993-10-05 US disclosed
US-5208344-A Benzothiazole derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1993-05-04 US disclosed
US-5084575-A Drugs for the treatment of rhinitis, asthma and skin disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1992-01-28 US disclosed
US-4960892-A ENZYME INHIBITOR AMERICAN HOME PRODUCTS CORPORATION (US) 1990-10-02 US disclosed
EP-0301813-B1 NAPHTHALENEPROPIONIC ACID DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1990-08-08 EP disclosed
EP-0301813-A1 Naphthalenepropionic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1989-02-01 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 (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-20120059117-A1 COMPOUNDS FOR THE SYNTHESIS OF BIOSTABLE POLYURETHANE, POLYUREA OR POLYUREA URETHANE POLYMERS PUF60, UMPS, UGP2 AKR1C3 3851/4885AKR1C2 2962/4885PTGS2 853/4885

“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.