SCHEMBL12412237

SCHEMBL12412237

Cc1cc(O)ccc1OCCN

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.56
KDM4E B2RXH2 3/20 0.44
CYP19A1 P11511 4/20 0.41
ESR2 Q92731 4/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP3A5 P20815 1/20 0.40
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38

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 SCHEMBL1437500 0.98 ESR1 (0.55) ESR1KDM4ECYP19A1ESR2ALDH1A1
SCHEMBL14747883 0.83 ESR1 (0.49) ESR1KDM4EALDH1A1TP53
SCHEMBL9651856 0.83 IDO1 (0.44) ESR1KDM4EESR2TP53ALOX15
SCHEMBL8864262 0.81 ESR1 (0.59) ESR1ALDH1A1
SCHEMBL7819533 0.81 SMN1; SMN2 (0.54) ESR1KDM4EALDH1A1
SCHEMBL11071449 0.80 ESR1 (0.58) ESR1
Hydrochloric Acid SCHEMBL21595757 0.79 SMN1; SMN2 (0.53) ESR1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL25374226 0.79 PRSS1 (0.50) KDM4ECYP1A2CYP3A4
SCHEMBL11796987 0.79 ESR1 (0.61) ESR1CYP3A4TP53ALOX15
SCHEMBL9697402 0.79 ESR1 (0.61) ESR1CYP3A4TP53ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921382-B2 Thiazolo[5,4-d] pyrimidines and their use as agrochemicals DOW AGROSCIENCES, LLC. (US) 2014-12-30 US disclosed
US-8921382-B2 Thiazolo[5,4-d] pyrimidines and their use as agrochemicals DOW AGROSCIENCES, LLC. (US) 2014-12-30 US disclosed
EP-2521452-B1 THIAZOLO[5,4-d]PYRIMIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2014-12-24 EP disclosed
US-8895568-B2 Compositions comprising substituted pteridines as agrochemicals DOW AGROSCIENCES, LLC. (US) 2014-11-25 US disclosed
US-8895568-B2 Compositions comprising substituted pteridines as agrochemicals DOW AGROSCIENCES, LLC. (US) 2014-11-25 US disclosed
US-20130252960-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2013-09-26 US disclosed
US-20130252960-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2013-09-26 US disclosed
US-8461164-B2 Pteridines and their use as agrochemicals DOW AGROSCIENCES, LLC. (US) 2013-06-11 US disclosed
US-8461164-B2 Pteridines and their use as agrochemicals DOW AGROSCIENCES, LLC. (US) 2013-06-11 US disclosed
WO-2011085084-A1 THIAZOLO[5,4-d] PYRIMIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2011-07-14 WO disclosed
US-20110166164-A1 THIAZOLO[5,4-d] PYRIMIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC 2011-07-07 US disclosed
US-20110166164-A1 THIAZOLO[5,4-d] PYRIMIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC 2011-07-07 US disclosed
US-20110054173-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2011-03-03 US disclosed
US-20110054173-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2011-03-03 US disclosed
WO-2011025505-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS DOW AGROSCIENCES LLC (US) 2011-03-03 WO 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 (3 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-20130252960-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS CBR3, CBR1, AKR1C4 ESR1 3635/4885KDM4E 354/4885CYP19A1 1435/4885
US-20110166164-A1 THIAZOLO[5,4-d] PYRIMIDINES AND THEIR USE AS AGROCHEMICALS DPYD, TYMS, TYMP ESR1 2448/4885KDM4E 1753/4885CYP19A1 2544/4885
US-20110054173-A1 PTERIDINES AND THEIR USE AS AGROCHEMICALS PIR, PFAS, PNPO ESR1 2033/4885KDM4E 917/4885CYP19A1 835/4885

“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.