SCHEMBL18328003

SCHEMBL18328003

CCCCC(CC)CN1C(=O)C2=C(c3ccc(-c4ccc(C=O)s4)s3)N(CC(CC)CCCC)C(=O)C2=C1c1ccc(Br)s1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
TNFRSF1A P19438 1/20 0.32
DPP4 P27487 1/20 0.31
APP P05067 1/20 0.30

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
SCHEMBL14757415 0.94 ALDH1A1 (0.41) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL18066971 0.93 KMT2A (0.39) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL10106865 0.92 ALDH1A1 (0.42) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL793158 0.91 ALDH1A1 (0.40) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL10106866 0.89 KDM4E (0.38) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL18985153 0.88 KMT2A (0.39) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL20049181 0.88 KDM4E (0.38) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL13569619 0.86 KDM4E (0.38) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL20724780 0.86 ALDH1A1 (0.38) KDM4EALDH1A1THRBHPGDKMT2A
SCHEMBL18328002 0.86 DPP4 (0.47) KDM4EALDH1A1THRBHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3401969-B1 ORGANIC TRANSISTOR AND GAS SENSOR LG CHEMICAL LTD (KR) 2020-10-14 EP disclosed
US-10355221-B2 Heterocyclic compound and organic solar cell comprising the same LG CHEM, LTD. (KR) 2019-07-16 US disclosed
US-20180069184-A1 COMPOUND AND ORGANIC SOLAR CELL COMPRISING SAME LG CHEM, LTD. (KR) 2018-03-08 US disclosed
US-20180057515-A1 HETEROCYCLIC COMPOUND AND ORGANIC SOLAR CELL COMPRISING SAME LG CHEM, LTD. (KR) 2018-03-01 US disclosed
WO-2017213379-A1 ORGANIC TRANSISTOR AND GAS SENSOR 주식회사 엘지화학 2017-12-14 WO disclosed
US-20160372680-A1 HETEROCYCLIC COMPOUND AND ORGANIC SOLAR CELL COMPRISING THE SAME LG CHEM, LTD. (KR) 2016-12-22 US disclosed
US-20160372680-A1 HETEROCYCLIC COMPOUND AND ORGANIC SOLAR CELL COMPRISING THE SAME LG CHEM, LTD. (KR) 2016-12-22 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 (4 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-20160372680-A1 HETEROCYCLIC COMPOUND AND ORGANIC SOLAR CELL COMPRISING THE SAME SUN2, CRY1, STOM KDM4E 768/4885ALDH1A1 1187/4885THRB 4838/4885
US-10355221-B2 Heterocyclic compound and organic solar cell comprising the same SUN2, CRY1, STOM KDM4E 768/4885ALDH1A1 1187/4885THRB 4838/4885
US-20180057515-A1 HETEROCYCLIC COMPOUND AND ORGANIC SOLAR CELL COMPRISING SAME SUN2, CRY1, STOM KDM4E 757/4885ALDH1A1 1159/4885THRB 4830/4885
US-20180069184-A1 COMPOUND AND ORGANIC SOLAR CELL COMPRISING SAME OR10J3, SUN2, CRY2 KDM4E 974/4885ALDH1A1 2025/4885THRB 4800/4885

“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.