SCHEMBL21164778

SCHEMBL21164778

S=C(S)c1c2ccccc2cc2cc3ccccc3cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 5/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
CYP1A2 P05177 4/20 0.47
HSD17B10 Q99714 3/20 0.47
HPGD P15428 3/20 0.47
CYP2C19 P33261 2/20 0.47
GLA P06280 1/20 0.47
GAA P10253 3/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HIF1A Q16665 1/20 0.40
CYP1B1 Q16678 1/20 0.40
TRPM4 Q8TD43 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 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
SCHEMBL21164724 0.92 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL4896927 0.74 ALDH1A1 (0.59) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL4896934 0.74 ALDH1A1 (0.84) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL1395298 0.74 ALDH1A1 (0.56) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL21164736 0.73 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL21164597 0.73 ALOX5 (0.46) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL3630050 0.73 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL1478795 0.73 MEN1 (0.61) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL30450396 0.72 ALDH1A1 (0.58) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL21164592 0.72 ALOX5 (0.45) ALDH1A1KDM4EMEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10351580-B2 Acene-based transmitter molecules for photon upconversion THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-07-16 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-10351580-B2 Acene-based transmitter molecules for photon upconversion ACE, ACE2, AGTR1 ALDH1A1 93/4885KDM4E 4392/4885MEN1 1290/4885

“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.