SCHEMBL20967951

SCHEMBL20967951

CCCCCCCC(C)(C#N)CCCCCC

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
THRB P10828 1/20 0.40
GGPS1 O95749 6/20 0.37
EBP Q15125 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
FDPS P14324 9/20 0.35
SMPD1 P17405 2/20 0.34
CES2 O00748 1/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34

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
SCHEMBL28191748 1.00 TSHR (0.40) TSHRTHRBGGPS1EBPSIGMAR1
SCHEMBL12208739 1.00 TSHR (0.40) TSHRTHRBGGPS1EBPSIGMAR1
SCHEMBL9912385 1.00 TSHR (0.40) TSHRTHRBGGPS1EBPSIGMAR1
SCHEMBL10029661 1.00 TSHR (0.40) TSHRTHRBGGPS1EBPSIGMAR1
SCHEMBL28930082 1.00 TSHR (0.40) TSHRTHRBGGPS1EBPSIGMAR1
SCHEMBL12808432 0.98 TSHR (0.38) TSHRTHRBGGPS1EBPSIGMAR1
Phosphine SCHEMBL11050682 0.98 TSHR (0.38) TSHRTHRBGGPS1EBPSIGMAR1
SCHEMBL366645 0.97 TSHR (0.38) TSHRTHRBGGPS1EBPSIGMAR1
SCHEMBL23508852 0.95 TSHR (0.36) TSHRTHRBGGPS1EBPSIGMAR1
SCHEMBL10029774 0.95 TSHR (0.36) TSHRTHRBGGPS1EBPSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11139436-B2 Organic compound, and light-emitting diode and light-emitting device including the same LG DISPLAY CO., LTD. (KR) 2021-10-05 US disclosed
US-10577362-B2 Substituted 2, 4-diamino-quinoline derivatives for use in the treatment of proliferative diseases GENOSCIENCE PHARMA (FR) 2020-03-03 US disclosed
US-20190144437-A1 SUBSTITUTED 2, 4-DIAMINO-QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES GENOSCIENCE PHARMA (FR) 2019-05-16 US disclosed
US-20190131548-A1 ORGANIC COMPOUND, AND LIGHT-EMITTING DIODE AND LIGHT-EMITTING DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2019-05-02 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 (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-20190131548-A1 ORGANIC COMPOUND, AND LIGHT-EMITTING DIODE AND LIGHT-EMITTING DEVICE INCLUDING THE SAME DRD1, DRD2, ALDH1A2 TSHR 1352/4885THRB 835/4885GGPS1 2432/4885
US-11139436-B2 Organic compound, and light-emitting diode and light-emitting device including the same DRD1, DRD2, ALDH1A2 TSHR 1352/4885THRB 835/4885GGPS1 2432/4885
US-20190144437-A1 SUBSTITUTED 2, 4-DIAMINO-QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES NQO2, RECQL, CCNO TSHR 3904/4885THRB 4176/4885GGPS1 1832/4885
US-10577362-B2 Substituted 2, 4-diamino-quinoline derivatives for use in the treatment of proliferative diseases NQO2, RECQL, CCNO TSHR 3904/4885THRB 4176/4885GGPS1 1832/4885

“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.