Sugi Predict

Sugi Predict / Compounds / SCHEMBL4599897

SCHEMBL4599897

SCHEMBL4599897

[c]1c[nH]c2ccc3ccccc3c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ HSD17B10 Q99714 4/20 0.42
▸ CYP2A6 P11509 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HPRT1 P00492 1/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ KIF11 P52732 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ PARP1 P09874 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ PTPN22 Q9Y2R2 1/20 0.33

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
SCHEMBL9424782 0.68 ALDH1A1 (0.42) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL3002 0.67 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL25021 0.66 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL29628855 0.64 ALDH1A1 (0.55) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL280428 0.64 ALDH1A1 (0.55) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Phenanthrene SCHEMBL29477074 0.64 CYP2A6 (1.00) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Phenanthrene SCHEMBL29358486 0.64 CYP2A6 (1.00) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Phenanthrene SCHEMBL7643 0.64 CYP2A6 (1.00) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Phenanthrene SCHEMBL30932938 0.64 CYP2A6 (1.00) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Phenanthrene SCHEMBL27458043 0.64 CYP2A6 (1.00) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230391704-A1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-12-07 — — US claimed
US-20210371367-A1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-12-02 — — US claimed
CN-111712481-A Triarylmethane compounds 三菱瓦斯化学株式会社 2020-09-25 — — CN claimed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 — — EP claimed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 — — EP claimed
US-20230391704-A1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-12-07 — — US disclosed
US-11760712-B2 Triarylmethane compounds MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-09-19 — — US disclosed
US-20210371367-A1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-12-02 — — US disclosed
US-20210355058-A1 POLYCYCLIC COMPOUNDS MITSUBISHI GAS CHEMICAL CO (JP) 2021-11-18 — — US disclosed
US-20210340317-A1 POLYCYCLIC COMPOUNDS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2021-11-04 — — US disclosed
CN-111712481-A Triarylmethane compounds 三菱瓦斯化学株式会社 2020-09-25 — — CN disclosed
WO-2020080558-A1 POLYCYCLIC COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-04-23 — — WO disclosed
US-8227621-B2 Cyanine dyes and methods of use LI-COR, INC. (US) 2012-07-24 — — US disclosed
EP-1910554-A2 CYANINE DYES AND METHODS OF USE IN BIOLOGICAL APPLICATIONS LI-COR, INC. (US) 2008-04-16 — — EP disclosed
US-20070042398-A1 CYANINE DYES AND METHODS OF USE LI-COR, INC. (US) 2007-02-22 — — US disclosed
WO-2007005222-A2 CYANINE DYES AND METHODS OF USE IN BIOLOGICAL APPLICATIONS LI-COR, INC. (US) 2007-01-11 — — WO disclosed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 — — US disclosed
US-6071895-A RETROVIRAL PROTEASES INHIBITOR; USEFUL FOR TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS VIRAL INFECTIONS SUCH AS ACQUIRED IMMUNODEFICIENCY SYNDROME(AIDS); COMPOUND CONTAINING A CYCLIC DIAZAALKANE GROUP NARHEX LIMITED (HK) 2000-06-06 — — US disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 — — EP disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 — — 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 (7 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-20210340317-A1 POLYCYCLIC COMPOUNDS CBR1, C1R, CBR3 ALDH1A1 342/4885HSD17B10 1405/4885CYP2A6 216/4885
US-20230391704-A1 TRIARYLMETHANE COMPOUNDS CBR3, HAX1, HRH3 ALDH1A1 2431/4885HSD17B10 665/4885CYP2A6 936/4885
US-20210355058-A1 POLYCYCLIC COMPOUNDS CBR1, CBR3, C1R ALDH1A1 409/4885HSD17B10 1119/4885CYP2A6 151/4885
US-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 ALDH1A1 889/4885HSD17B10 417/4885CYP2A6 2424/4885
US-11760712-B2 Triarylmethane compounds CBR3, HAX1, HRH3 ALDH1A1 2431/4885HSD17B10 665/4885CYP2A6 936/4885
US-20210371367-A1 TRIARYLMETHANE COMPOUNDS CBR3, HAX1, HRH3 ALDH1A1 2431/4885HSD17B10 665/4885CYP2A6 936/4885
US-20070042398-A1 CYANINE DYES AND METHODS OF USE CRY2, IK, CRY1 ALDH1A1 2397/4885HSD17B10 2957/4885CYP2A6 1876/4885

“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.