SCHEMBL4898418

SCHEMBL4898418

O=C1CCCN1C1=C[CH]CC=C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
HPGD P15428 6/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.37
TSHR P16473 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 2/20 0.34
AKR1C3 P42330 1/20 0.34
NPC1 O15118 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 2/20 0.33
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
TP53 P04637 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
SCHEMBL3656208 0.73 ALDH1A1 (0.38) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL5492690 0.70 KDM4E (0.30) ALDH1A1HSD17B10TSHRMAPK1
SCHEMBL3469383 0.68 ALDH1A1 (0.31) ALDH1A1LMNA
SCHEMBL1378378 0.68 ALDH1A1 (0.33) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL11142367 0.65 ALDH1A1 (0.74) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL30471846 0.64 ALDH1A1 (0.37) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL3833213 0.64 ALDH1A1 (0.37) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL12844506 0.63 MEN1 (0.33) ALDH1A1HPGDHSD17B10TSHRMEN1
SCHEMBL28648634 0.63
SCHEMBL78465 0.63 ALDH1A1 (0.65) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6

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-20080249075-A1 C11 Modified Retrosteroids as Progesterone Receptor Modulator Compounds SOLVAY PHARMACEUTICALS GMBH (DE) 2008-10-09 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-20080249075-A1 C11 Modified Retrosteroids as Progesterone Receptor Modulator Compounds HSD17B11, CYP19A1, ESRRA ALDH1A1 1234/4885HPGD 373/4885CYP1A2 222/4885

“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.