SCHEMBL18307589

SCHEMBL18307589

CCCCCn1ccc2cc3c(ccn3CCCCC)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 4/20 0.52
▸ CCND1 P24385 4/20 0.52
▸ PLG P00747 1/20 0.47
▸ PLAU P00749 1/20 0.47
▸ HTR2A P28223 1/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ TLR8 Q9NR97 3/20 0.42
▸ HTT P42858 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LNPEP Q9UIQ6 1/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PABPC1 P11940 1/20 0.40

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
SCHEMBL1881998 0.86 CDK4 (0.46) CDK4CCND1PLGPLAUHTR2A
SCHEMBL27878753 0.83 LMNA (0.50) CDK4CCND1PLGPLAUHTR2A
SCHEMBL18856950 0.83 HTR2A (0.55) CDK4CCND1PLGPLAUHTR2A
SCHEMBL18856947 0.83 HTR2A (0.55) CDK4CCND1PLGPLAUHTR2A
SCHEMBL18856949 0.83 HTR2A (0.55) CDK4CCND1PLGPLAUHTR2A
SCHEMBL14155057 0.83 HTR2C (0.55) CDK4CCND1HTR2AHTR2CTLR8
SCHEMBL111621 0.82 ALDH1A1 (0.43) CDK4CCND1PLGPLAUHTR2A
SCHEMBL29915749 0.82 ALDH1A1 (0.43) CDK4CCND1PLGPLAUHTR2A
SCHEMBL10622546 0.81 OXER1 (0.51) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL18856948 0.81 MTNR1A (0.58) CDK4CCND1PLGPLAUHTR2A

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-20180118879-A1 NOVEL DIHYDROPYRROLO[2,3-F] INDOLE-DIKETOPYRROLOPYRROLE SEMICONDUCTING MATERIALS, AND METHODS AND USES THEREOF CORNING INCORPORATED 2018-05-03 — — US disclosed
US-9896536-B2 Dihydropyrrolo[2,3-F] indole-diketopyrrolopyrrole semiconducting materials, and methods and uses thereof CORNING INCORPORATED (US) 2018-02-20 — — US disclosed
US-20160362517-A1 NOVEL DIHYDROPYRROLO[2,3-F]INDOLE-DIKETOPYRROLOPYRROLE SEMICONDUCTING MATERIALS, AND METHODS AND USES THEREOF CORNING INC (US) 2016-12-15 — — US disclosed
US-20160365518-A1 NOVEL DIHYDROPYRROLO[2,3-F] INDOLE-DIKETOPYRROLOPYRROLE SEMICONDUCTING MATERIALS, AND METHODS AND USES THEREOF CORNING INCORPORATED 2016-12-15 — — 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-20160362517-A1 NOVEL DIHYDROPYRROLO[2,3-F]INDOLE-DIKETOPYRROLOPYRROLE SEMICONDUCTING MATERIALS, AND METHODS AND USES THEREOF TDO2, KMO, IDO2 CDK4 200/4885CCND1 1063/4885PLG 4490/4885
US-20160365518-A1 NOVEL DIHYDROPYRROLO[2,3-F] INDOLE-DIKETOPYRROLOPYRROLE SEMICONDUCTING MATERIALS, AND METHODS AND USES THEREOF TDO2, KMO, IDO2 CDK4 264/4885CCND1 1052/4885PLG 4371/4885

“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.

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