SCHEMBL19806049

SCHEMBL19806049

CC(C)(C)c1ccc(C(C)(C)c2cccc(Cl)c2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
CYP3A4 P08684 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP19A1 P11511 3/20 0.36
PDE2A O00408 1/20 0.36
KIF11 P52732 2/20 0.34
CASR P41180 1/20 0.34
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PGR P06401 1/20 0.33
ACLY P53396 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL8137247 0.83 ESR1 (0.50) ESR1ESR2CNR1CNR2CYP3A4
SCHEMBL10131666 0.77 PDE2A (0.43) CYP3A4TSHRMAPK1TDP1PDE2A
SCHEMBL19805986 0.77 PDE2A (0.41) ESR1ESR2CNR1CNR2CYP19A1
SCHEMBL19806085 0.76 KIF11 (0.35) ESR1ESR2CYP3A4TSHRMAPK1
SCHEMBL78619 0.75 HDAC4 (0.47) TSHRTDP1CYP19A1KIF11NPC1
SCHEMBL29441583 0.75 HDAC4 (0.47) TSHRTDP1CYP19A1KIF11NPC1
SCHEMBL799844 0.75 TSHR (0.62) CYP3A4TSHRMAPK1TDP1CASR
SCHEMBL8220063 0.72 PDE2A (0.60) TSHRPDE2AKIF11KMT2AALDH1A1
SCHEMBL7035573 0.71 CYP19A1 (0.42) TSHRTDP1CYP19A1KIF11KCNH2
Methyl Alcohol SCHEMBL27512784 0.71 HDAC4 (0.48) TSHRTDP1CYP19A1KIF11NPC1

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-10202354-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-12 US disclosed
US-20180022707-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-25 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 (2 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-20180022707-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KDM1B, KDM6B, KDM2B ESR1 1302/4885ESR2 308/4885CNR1 2007/4885
US-10202354-B2 Therapeutic compounds and uses thereof KDM1B, KDM6B, KDM2B ESR1 1302/4885ESR2 308/4885CNR1 2007/4885

“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.