SCHEMBL13610846

SCHEMBL13610846

Cc1cc(C(=O)O)ccc1NC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.49
▸ MYC P01106 1/20 0.49
▸ ESR1 P03372 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ PTPN7 P35236 1/20 0.49
▸ KDM4E B2RXH2 5/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ MAPT P10636 4/20 0.44
▸ LMNA P02545 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ GRM1 Q13255 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ GAA P10253 3/20 0.43

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
SCHEMBL13911909 0.86 AKR1C3 (0.50) HSD17B10MYCESR1ALOX15PTPN7
SCHEMBL2345304 0.79 HCAR3 (0.57) HSD17B10MYCESR1ALOX15PTPN7
SCHEMBL847314 0.78 KDM4E (0.44) HSD17B10MYCESR1ALOX15PTPN7
SCHEMBL13610854 0.78 CA12 (0.59) KMT2AMEN1RAB9ATSHRLMNA
SCHEMBL6235537 0.78 ALDH1A1 (0.58) HSD17B10MYCESR1ALOX15PTPN7
Hydrochloric Acid SCHEMBL28054067 0.76 ALDH1A1 (0.56) HSD17B10MYCESR1ALOX15PTPN7
SCHEMBL3586872 0.76 NEU3 (0.58) HSD17B10MYCESR1ALOX15PTPN7
SCHEMBL628865 0.76 MAPT (0.46) KDM4ENPC1KMT2AALDH1A1MEN1
SCHEMBL6044103 0.76 HCAR3 (0.70) KMT2AMEN1TSHRMAPTHCAR3
SCHEMBL30587156 0.76 MAPT (0.46) KDM4ENPC1KMT2AALDH1A1MEN1

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-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use BAYER PHARMACEUTICALS CORPORATION (US) 2009-11-12 — — US disclosed
US-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use BAYER PHARMACEUTICALS CORPORATION (US) 2009-11-12 — — 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-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use ADCYAP1R1, VIPR2, ADCY2 HSD17B10 1838/4885MYC 4340/4885ESR1 3618/4885

“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.

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