SCHEMBL19035794

SCHEMBL19035794

C=C(CCC)OCCN(CC)CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 2/20 0.39
CYP2D6 P10635 5/20 0.38
LMNA P02545 5/20 0.38
CYP1A2 P05177 4/20 0.38
TSHR P16473 3/20 0.38
MAOA P21397 1/20 0.38
HTR3A P46098 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CDYL Q9Y232 1/20 0.37
CYP3A4 P08684 4/20 0.37
BLM P54132 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SCN1A P35498 3/20 0.36
SCN2A Q99250 3/20 0.36
SCN3A Q9NY46 3/20 0.36
CYP2C9 P11712 3/20 0.36

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
SCHEMBL20718567 0.83 MEN1 (0.42) MEN1KMT2APOLBCYP2D6LMNA
SCHEMBL10605026 0.78 MEN1 (0.45) MEN1KMT2APOLBCYP2D6LMNA
SCHEMBL13486474 0.77
SCHEMBL8071568 0.76 MEN1 (0.43) MEN1KMT2APOLBCYP2D6LMNA
SCHEMBL11867827 0.75 CDYL (0.54) MEN1KMT2APOLBCYP2D6LMNA
Hydrochloric Acid SCHEMBL28431252 0.73 CDYL (0.52) MEN1KMT2APOLBCYP2D6LMNA
SCHEMBL14983798 0.72 MEN1 (0.41) MEN1KMT2APOLBCYP2D6LMNA
SCHEMBL13176832 0.71 TSHR (0.50) TSHRCYP3A4NPSR1ALDH1A1HTR2C
SCHEMBL13877082 0.71 MEN1 (0.48) MEN1KMT2APOLBCYP2D6LMNA
SCHEMBL9578316 0.71 TSHR (0.42) POLBCYP2D6LMNACYP1A2TSHR

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-20170340736-A1 PHOTOACTIVATABLE CAGED TAMOXIFEN AND TAMOXIFEN DERIVATIVE MOLECULES AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-11-30 US disclosed
US-9687548-B2 Photoactivatable caged tamoxifen and tamoxifen derivative molecules and methods of use thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-06-27 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-20170340736-A1 PHOTOACTIVATABLE CAGED TAMOXIFEN AND TAMOXIFEN DERIVATIVE MOLECULES AND METHODS OF USE THEREOF ESR1, ESRRG, GPER1 MEN1 3775/4885KMT2A 4031/4885POLB 2286/4885

“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.