SCHEMBL17970195

SCHEMBL17970195

Cc1cc2c(s1)CCCCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.52
ALDH1A1 P00352 10/20 0.49
POLB P06746 4/20 0.49
PKM P14618 2/20 0.49
RAB9A P51151 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
CYP2C19 P33261 3/20 0.47
ADRA2A P08913 3/20 0.47
ADRA2B P18089 3/20 0.47
ADRA2C P18825 3/20 0.47
TSHR P16473 1/20 0.47
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 4/20 0.43
TP53 P04637 2/20 0.43
MAPK1 P28482 1/20 0.43
DAO P14920 1/20 0.42
NPC1 O15118 4/20 0.42

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
SCHEMBL21093837 1.00 PNMT (0.52) PNMTALDH1A1POLBPKMRAB9A
SCHEMBL14907201 1.00 PNMT (0.52) PNMTALDH1A1POLBPKMRAB9A
SCHEMBL15426775 1.00 PNMT (0.52) PNMTALDH1A1POLBPKMRAB9A
SCHEMBL25771692 1.00 PNMT (0.52) PNMTALDH1A1POLBPKMRAB9A
SCHEMBL15276752 1.00 PNMT (0.52) PNMTALDH1A1POLBPKMRAB9A
SCHEMBL16230045 1.00 PNMT (0.52) PNMTALDH1A1POLBPKMRAB9A
SCHEMBL147105 0.98 PNMT (0.53) PNMTALDH1A1POLBPKMRAB9A
SCHEMBL6860577 0.93
SCHEMBL17339851 0.76 PNMT (0.50) PNMTRAB9AMEN1KMT2ACYP2C19
SCHEMBL17339865 0.76 PNMT (0.55) PNMTRAB9AMEN1KMT2ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230210854-A1 MONO- AND COMBINATION THERAPIES RECURIUM IP HOLDINGS, LLC 2023-07-06 US disclosed
EP-2828904-B1 CONJUGATED POLYMERS AND THEIR USE IN OPTOELECTRONIC DEVICES RAYNERGY TEK INC (TW) 2019-06-12 EP disclosed
EP-2365970-B1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS GILEAD CONNECTICUT INC (US) 2018-03-21 EP disclosed
EP-2828903-B1 OPTOELECTRONIC DEVICES COMPRISING POLYMERIC BLENDS RAYNERGY TEK INC (TW) 2017-11-01 EP disclosed
EP-2188267-B1 SUBSTITUTED AMIDES, METHODS OF MAKING, USE THEREOF FOR THE TREATMENT OF DISEASES SUCH AS CANCER GILEAD CONNECTICUT INC (US) 2016-08-03 EP 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-20230210854-A1 MONO- AND COMBINATION THERAPIES TP53, BRCA1, MCL1 PNMT 1888/4885ALDH1A1 506/4885POLB 255/4885

“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.