SCHEMBL9719573

SCHEMBL9719573

O=C(c1ccc(Cl)cc1)C1(Oc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 2/20 0.40
NR4A1 P22736 1/20 0.40
CCR8 P51685 2/20 0.39
KCNH2 Q12809 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
MGLL Q99685 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
SCHEMBL10574205 0.92 HPGD (0.49) CES2CES1MEN1KMT2AALOX15
SCHEMBL697540 0.78 MAP4K4 (0.53) MEN1KMT2AALOX15TSHRHPGD
SCHEMBL28585419 0.77 HPGD (0.53) MEN1KMT2AALOX15TSHRHPGD
SCHEMBL9628022 0.76 HPGD (0.50) CES2CES1KMT2ANPC1RAB9A
SCHEMBL27142106 0.75 AKR1C1 (0.41) MEN1KMT2AALOX15TSHRMAPT
SCHEMBL27147102 0.72 PARP10 (0.41) MEN1KMT2AALOX15TSHRL3MBTL1
SCHEMBL2459892 0.71 MAP4K4 (0.57) MEN1KMT2ARAB9AALOX15TSHR
SCHEMBL14155983 0.71 CES2 (0.50) CES2CES1ALOX15TSHR
SCHEMBL31117822 0.71 MAP4K4 (0.61) MEN1KMT2ARAB9AHPGDMAPT
SCHEMBL31117904 0.71 MAP4K4 (0.48) MEN1KMT2ARAB9AALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9198429-B2 Heterocyclic alkanol-derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-01 US disclosed
US-20140274952-A1 NOVEL HETEROCYCLIC ALKANOL-DERIVATIVES BAYER INTELLCTUAL PROPERTY GMBH (DE) 2014-09-18 US disclosed
US-5089640-A Fungicides, plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-4988382-A HERBICIDES, PLANT GROWTH REGULATORS, IMIDAZOLE DERIVATIVES, FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 US disclosed
EP-0180136-B1 SUBSTITUTED AZOLYLMETHYL-CYCLOPROPYL CARBINOL DERIVATIVES BAYER AG (DE) 1991-01-02 EP disclosed
US-4921528-A PLANT GROWTH REGULATORS, FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-05-01 US disclosed
EP-0180850-A2 Antimycotic azolyl-methyl-cyclopropyl-carbinol derivatives BAYER AG (DE) 1986-05-14 EP disclosed
EP-0180136-A2 Substituted azolylmethyl-cyclopropyl carbinol derivatives BAYER AG (DE) 1986-05-07 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-20140274952-A1 NOVEL HETEROCYCLIC ALKANOL-DERIVATIVES ERG28, CBR3, MYB CES2 2183/4885CES1 2047/4885MEN1 4038/4885

“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.