SCHEMBL896862

SCHEMBL896862

CCC(C(=O)O)c1ccc(C)cn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.39
AKR1C3 P42330 7/20 0.38
AKR1C2 P52895 7/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
AKR1C1 Q04828 1/20 0.36
PTGS1 P23219 1/20 0.36
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL1852826 0.85 ADRA2A (0.39) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL13619853 0.82 CPB2 (0.39) MAPTRAB9ACCR1CCR5CCR8
SCHEMBL1624374 0.81 CPB2 (0.39) AKR1C3AKR1C2AKR1C1PTGS1ESR1
SCHEMBL30564494 0.79 AKR1C3 (0.52) ALDH1A1AKR1C3AKR1C2KMT2AAKR1C1
SCHEMBL31240136 0.77 MAPT (0.43) MAPTRAB9AALDH1A1AKR1C3AKR1C2
SCHEMBL2079429 0.76 NPC1 (0.55) MAPTRAB9AALDH1A1AKR1C3AKR1C2
SCHEMBL2079431 0.76 NPC1 (0.55) MAPTRAB9AALDH1A1AKR1C3AKR1C2
SCHEMBL25160322 0.76 PDE10A (0.45) MAPTRAB9AALDH1A1CCR1CCR5
SCHEMBL1849854 0.76 ADRA2A (0.38) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL14584180 0.75 MAPT (0.42) MAPTRAB9AMEN1KMT2ACCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3004086-A1 SUBSTITUTED BENZOXAZOLES Bayer Pharma Aktiengesellschaft (DE) 2016-04-13 EP disclosed
EP-3004095-A1 TRIAZOLOPYRIDINES AS THROMBIN INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISEASES Bayer Pharma Aktiengesellschaft (DE) 2016-04-13 EP disclosed
WO-2014195244-A1 TRIAZOLOPYRIDINES AS THROMBIN INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-11 WO disclosed
WO-2014195230-A1 SUBSTITUTED BENZOXAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-11 WO disclosed
US-20120083605-A1 PYRIDAZINE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-04-05 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-20120083605-A1 PYRIDAZINE COMPOUND AND USE THEREOF PLPBP, PNPO, PDXK MAPT 285/4885RAB9A 1104/4885ALDH1A1 3397/4885

“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.