SCHEMBL15788560

SCHEMBL15788560

CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccc(O)cc2)c2ccccc2)cc1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 17/20 0.90
EBP Q15125 4/20 0.90
KMT2A Q03164 4/20 0.90
KDM4E B2RXH2 3/20 0.90
MEN1 O00255 3/20 0.90
MAPT P10636 3/20 0.90
KCNH2 Q12809 2/20 0.90
SIGMAR1 Q99720 2/20 0.90
CHRM2 P08172 2/20 0.90
ADRA2A P08913 2/20 0.90
ADORA3 P0DMS8 2/20 0.90
CHRM1 P11229 2/20 0.90
PTGS1 P23219 2/20 0.90
SLC6A2 P23975 2/20 0.90
SLC6A4 P31645 2/20 0.90
DRD3 P35462 2/20 0.90
HTR6 P50406 2/20 0.90
SLC6A3 Q01959 2/20 0.90
CYP2D6 P10635 2/20 0.90
PGR P06401 2/20 0.90

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
4-Oh-Enclomiphene SCHEMBL14680624 1.00 ESR1 (0.90) ESR1EBPKMT2AKDM4EMEN1
4-Oh-Enclomiphene SCHEMBL6768536 1.00 ESR1 (0.90) ESR1EBPKMT2AKDM4EMEN1
4-Oh-Enclomiphene SCHEMBL17152123 1.00 ESR1 (0.90) ESR1EBPKMT2AKDM4EMEN1
Clomiphene SCHEMBL29379763 0.95 ESR1 (1.00) ESR1EBPKMT2AKDM4EMEN1
Enclomiphene SCHEMBL5083138 0.95 ESR1 (1.00) ESR1EBPKMT2AKDM4EMEN1
SCHEMBL14680711 0.95 ESR1 (0.80) ESR1EBPKMT2AKDM4EMEN1
SCHEMBL10407739 0.95 ESR1 (1.00) ESR1EBPKMT2AKDM4EMEN1
Enclomiphene SCHEMBL20594021 0.95 ESR1 (1.00) ESR1EBPKMT2AKDM4EMEN1
Enclomiphene SCHEMBL34893 0.95 ESR1 (1.00) ESR1EBPKMT2AKDM4EMEN1
Zuclomiphene SCHEMBL34894 0.95 ESR1 (1.00) ESR1EBPKMT2AKDM4EMEN1

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-3351527-A1 TRANS-CLOMIPHENE METABOLITES AND USES THEREOF Repros Therapeutics Inc. (US) 2018-07-25 EP disclosed
US-9981906-B2 Trans-clomiphene metabolites and uses thereof REPROS THERAPEUTICS INC. (US) 2018-05-29 US disclosed
US-9981906-B2 Trans-clomiphene metabolites and uses thereof REPROS THERAPEUTICS INC. (US) 2018-05-29 US disclosed
US-20140163114-A1 TRANS-CLOMIPHENE METABOLITES AND USES THEREOF REPROS THERAPEUTICS INC. (US) 2014-06-12 US disclosed
US-20140163114-A1 TRANS-CLOMIPHENE METABOLITES AND USES THEREOF REPROS THERAPEUTICS INC. (US) 2014-06-12 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-20140163114-A1 TRANS-CLOMIPHENE METABOLITES AND USES THEREOF SHBG, CYP19A1, HMGCR ESR1 111/4885EBP 423/4885KMT2A 665/4885

“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.