SCHEMBL10353078

SCHEMBL10353078

CN(C)CCCN.CN(C)CCCN

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.62
ALDH1A1 P00352 2/20 0.56
TSHR P16473 2/20 0.56
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
CHRM2 P08172 1/20 0.50
DNM1 Q05193 4/20 0.45
NFKB1 P19838 1/20 0.40
CA12 O43570 3/20 0.39
CA2 P00918 3/20 0.39
CA3 P07451 3/20 0.39
CA4 P22748 3/20 0.39
CA6 P23280 3/20 0.39
CA5A P35218 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
CA5B Q9Y2D0 3/20 0.39
CYP1A2 P05177 1/20 0.39
HRH2 P25021 1/20 0.39

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
SCHEMBL30161 1.00
Hydrochloric Acid SCHEMBL1983040 0.97
Ethylenediamine SCHEMBL2316185 0.97 TDP1 (0.59) TDP1ALDH1A1TSHRCYP2C9CYP2C19
Methane SCHEMBL5788949 0.97
Ammonia Solution, Strong SCHEMBL5152043 0.97
Water SCHEMBL11668621 0.97
Hydrochloric Acid SCHEMBL1194920 0.97
SCHEMBL626592 0.97
Fluoride SCHEMBL9160417 0.97
Hydrochloric Acid SCHEMBL1194922 0.97 TDP1 (0.59) TDP1ALDH1A1TSHRCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200079906-A1 PHOTODYNAMIC THERAPY COMPLEX UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2020-03-12 US claimed
EP-3371243-A1 PHOTODYNAMIC THERAPY COMPLEX University College Cardiff Consultants Limited (GB) 2018-09-12 EP claimed
WO-2017077299-A1 PHOTODYNAMIC THERAPY COMPLEX UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2017-05-11 WO claimed
US-20200079906-A1 PHOTODYNAMIC THERAPY COMPLEX UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2020-03-12 US disclosed
EP-3371243-A1 PHOTODYNAMIC THERAPY COMPLEX University College Cardiff Consultants Limited (GB) 2018-09-12 EP disclosed
WO-2017077299-A1 PHOTODYNAMIC THERAPY COMPLEX UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2017-05-11 WO disclosed
EP-0270804-B1 PROCESS FOR THE PREPARATION OF FINELY DIVIDED POLYISOCYANATES CONTAINING UREA GROUPS BAYER AG (DE) 1990-09-26 EP disclosed
US-4757105-A Reacting water with organic polyisocyanate in the presence of an amine-containing emulsion stabilizer BAYER AKTIENGESELLSCHAFT (DE) 1988-07-12 US disclosed
US-4508644-A QUANTITATIVE DETERMINATION OF ENZYMES BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1985-04-02 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-20200079906-A1 PHOTODYNAMIC THERAPY COMPLEX PPOX, ALAD, PPIF TDP1 4442/4885ALDH1A1 1147/4885TSHR 4340/4885

“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.