SCHEMBL22870169

SCHEMBL22870169

c1ccc2c(c1)ccc1[nH]c3ccc(-c4ccc5[nH]c6ccccc6c5c4)cc3c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 8/20 0.60
CCND1 P24385 8/20 0.60
AHR P35869 1/20 0.50
KIF11 P52732 5/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 3/20 0.47
GPR3 P46089 1/20 0.47
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46
GABRA6 Q16445 1/20 0.46

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
SCHEMBL23966739 0.95 CDK4 (0.65) CDK4CCND1AHRKIF11ALDH1A1
SCHEMBL16656490 0.94 CDK4 (0.57) CDK4CCND1AHRKIF11ALDH1A1
SCHEMBL24557818 0.93 CDK4 (0.53) CDK4CCND1AHRKIF11ALDH1A1
SCHEMBL22661399 0.92 CDK4 (0.58) CDK4CCND1AHRKIF11ALDH1A1
SCHEMBL17563211 0.90 CDK4 (0.73) CDK4CCND1KIF11ALDH1A1HSD17B10
SCHEMBL23609720 0.90 CDK4 (0.60) CDK4CCND1KIF11ALDH1A1HSD17B10
SCHEMBL23609819 0.90 CDK4 (0.73) CDK4CCND1KIF11ALDH1A1HSD17B10
SCHEMBL17228823 0.90 AHR (0.64) CDK4CCND1AHRKIF11ALDH1A1
SCHEMBL16310858 0.89 CDK4 (0.61) CDK4CCND1AHRKIF11ALDH1A1
SCHEMBL24806931 0.88 CDK4 (0.57) CDK4CCND1AHRKIF11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230128360-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DEVICE LT MATERIALS CO., LTD. (KR) 2023-04-27 US disclosed
US-11161933-B2 Conjugated polymer and use thereof in organic electronic device GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2021-11-02 US disclosed
US-20210003920-A1 COMPOSITION FOR FORMING ORGANIC FILM, SUBSTRATE FOR MANUFACTURING SEMICONDUCTOR DEVICE, METHOD FOR FORMING ORGANIC FILM, PATTERNING PROCESS, AND POLYMER SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-01-07 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-11161933-B2 Conjugated polymer and use thereof in organic electronic device PCBP1, PITPNB, ETFB CDK4 3359/4885CCND1 1339/4885AHR 3367/4885
US-20230128360-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DEVICE CRY1, ORC3, ODC1 CDK4 372/4885CCND1 137/4885AHR 67/4885

“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.