SCHEMBL21084683

SCHEMBL21084683

C=CCN(CC=C)c1ccccc1C(=O)Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.44
ALDH1A1 P00352 6/20 0.40
ALOX15 P16050 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 3/20 0.38
CYP1A2 P05177 1/20 0.38
ALOX5 P09917 1/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
C5AR1 P21730 1/20 0.36
TSHR P16473 3/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL89548 0.86 ALDH1A1 (0.50) PTPN1ALDH1A1CYP3A4HPGDCYP1A2
SCHEMBL278676 0.84 PTPN1 (0.47) PTPN1ALDH1A1ALOX15CYP3A4HPGD
SCHEMBL655212 0.83 KDM4E (0.46) PTPN1ALDH1A1CYP3A4HPGDALOX5
Hydrochloric Acid SCHEMBL27897977 0.83 PTPN1 (0.46) PTPN1ALDH1A1ALOX15CYP3A4HPGD
SCHEMBL10692029 0.80 PTPN1 (0.43) PTPN1ALDH1A1CYP3A4HPGDCYP1A2
SCHEMBL83996 0.80 AKR1C3 (0.46) PTPN1ALDH1A1CYP3A4HPGDPKM
Benzophenone SCHEMBL27852184 0.79 ALDH1A1 (0.45) PTPN1ALDH1A1HPGDNPC1RAB9A
SCHEMBL11767364 0.79 AKR1C3 (0.44) PTPN1ALDH1A1ALOX15CYP3A4POLB
SCHEMBL8946208 0.79 CYP1A2 (0.41) PTPN1ALDH1A1CYP3A4HPGDCYP1A2
SCHEMBL2538164 0.78 CYP3A4 (0.68) PTPN1ALDH1A1CYP3A4ALOX5NPC1

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-11059939-B2 Dicyclopentadiene derivatives and polymers thereof B.G. NEGEV TECHNOLOGIES AND APPLICATIONS LTD., AT BEN-GURION UNIVERSITY (IL) 2021-07-13 US disclosed
US-20190202976-A1 DICYCLOPENTADIENE DERIVATIVES AND POLYMERS THEREOF B.G. NEGEV TECHNOLOGIES & APPLICATIONS LTD., AT BEN-GURION UNIVERSITY (IL) 2019-07-04 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-11059939-B2 Dicyclopentadiene derivatives and polymers thereof DHPS, UROD, DCPS PTPN1 4737/4885ALDH1A1 656/4885ALOX15 192/4885
US-20190202976-A1 DICYCLOPENTADIENE DERIVATIVES AND POLYMERS THEREOF DHPS, UROD, DCPS PTPN1 4737/4885ALDH1A1 656/4885ALOX15 192/4885

“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.