Sugi Predict

Sugi Predict / Compounds / Chrysene

Chrysene

Chrysene

SCHEMBL3747550

c1cc2ccc3cccc4ccc(c1)c2c34.c1ccc2c(c1)ccc1c3ccccc3ccc21

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 3/20 0.78
▸ HSD17B10 Q99714 6/20 0.70
▸ ALDH1A1 P00352 5/20 0.70
▸ HPGD P15428 4/20 0.70
▸ CYP1A2 P05177 3/20 0.70
▸ THRB P10828 1/20 0.70
▸ TSHR P16473 4/20 0.67
▸ TDP1 Q9NUW8 3/20 0.67
▸ CYP2A6 P11509 1/20 0.67
▸ ERBB2 P04626 1/20 0.67
▸ FYN P06241 1/20 0.67
▸ MAOA P21397 1/20 0.67
▸ ACHE P22303 1/20 0.67
▸ AHR P35869 1/20 0.67
▸ CYP3A4 P08684 4/20 0.61
▸ CYP1B1 Q16678 2/20 0.61
▸ CYP1A1 P04798 1/20 0.61
▸ HIF1A Q16665 2/20 0.55
▸ PAX8 Q06710 1/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.52

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
Pyrene SCHEMBL2043599 0.94 ALDH1A1 (0.75) HPRT1HSD17B10ALDH1A1HPGDCYP1A2
Chrysene SCHEMBL15821271 0.93 CYP1A2 (0.72) HPRT1HSD17B10ALDH1A1HPGDCYP1A2
Benzo[E]Pyrene SCHEMBL9998154 0.92 HSD17B10 (0.84) HPRT1HSD17B10ALDH1A1HPGDCYP1A2
Chrysene SCHEMBL18546560 0.92 HSD17B10 (0.75) HPRT1HSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL2233815 0.92 HSD17B10 (0.75) HPRT1HSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL29157909 0.92 HPRT1 (0.82) HPRT1HSD17B10ALDH1A1HPGDCYP1A2
Triphenylene SCHEMBL16033563 0.91 ALDH1A1 (0.82) HPRT1HSD17B10ALDH1A1HPGDCYP1A2
Triphenylene SCHEMBL28972583 0.91 ALDH1A1 (0.82) HPRT1HSD17B10ALDH1A1HPGDCYP1A2
Pyrene SCHEMBL28972584 0.90 HSD17B10 (0.71) HPRT1HSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL4846677 0.89 HPRT1 (0.78) HPRT1HSD17B10ALDH1A1HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11655203-B2 Nitration ETH ZURICH (CH) 2023-05-23 — — US claimed
US-20220009875-A1 NITRATION ETH ZURICH (CH) 2022-01-13 — — US claimed
CN-113302186-A Nitration 瑞士苏黎世联邦理工学院 2021-08-24 — — CN claimed
EP-3717464-B1 NITRATION ETH ZUERICH (CH) 2021-06-16 — — EP claimed
EP-3717464-A1 NITRATION ETH Zurich (CH) 2020-10-07 — — EP claimed
US-11655203-B2 Nitration ETH ZURICH (CH) 2023-05-23 — — US disclosed
US-20220009875-A1 NITRATION ETH ZURICH (CH) 2022-01-13 — — US disclosed
CN-113302186-A Nitration 瑞士苏黎世联邦理工学院 2021-08-24 — — CN disclosed
EP-3717464-B1 NITRATION ETH ZUERICH (CH) 2021-06-16 — — EP disclosed
EP-3717464-A1 NITRATION ETH Zurich (CH) 2020-10-07 — — EP disclosed
CN-103748062-B There are the polycarbonate compositions of the optical property of enhancing, manufacture method and the goods comprising polycarbonate compositions SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2016-11-30 — — CN disclosed
US-7838130-B2 Aminodibenzofluorene derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2010-11-23 — — US disclosed
US-20090267491-A1 AMINODIBENZOFLUORENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-10-29 — — US disclosed
US-20090091240-A1 COMPOUND CONTAINING FUSED RING AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-04-09 — — US disclosed
US-20080226940-A1 DIBENZO[C,G]TRIPHENYLENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO.,LTD. (JP) 2008-09-18 — — US disclosed
EP-1646718-A2 METHODS FOR THE STEREOSELECTIVE SYNTHESIS AND ENANTIOMERIC ENRICHMENT OF B-AMINO ACIDS Pharmacia Corporation (US) 2006-04-19 — — EP disclosed
US-20050064240-A1 Organic electroluminescent device FUJIFILM CORPORATION (JP) 2005-03-24 — — US disclosed
WO-2005005633-A2 METHODS FOR THE STEREOSELECTIVE SYNTHESIS AND ENANTIOMERIC ENRICHMENT OF B-AMINO ACIDS PHARMACIA CORPORATION (US) 2005-01-20 — — WO disclosed
US-5166073-A Miniaturized sensor for ionizing radiation THE DOW CHEMICAL COMPANY (US) 1992-11-24 — — 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 (5 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-20090267491-A1 AMINODIBENZOFLUORENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME L1CAM, DDC, LEF1 HPRT1 1052/4885HSD17B10 3694/4885ALDH1A1 35/4885
US-20220009875-A1 NITRATION NOS1, NOS2, NOS3 HPRT1 1109/4885HSD17B10 2552/4885ALDH1A1 2335/4885
US-20080226940-A1 DIBENZO[C,G]TRIPHENYLENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME JUP, EED, L1CAM HPRT1 1374/4885HSD17B10 3839/4885ALDH1A1 954/4885
US-20090091240-A1 COMPOUND CONTAINING FUSED RING AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME INTS9, KCNN2, KCNH3 HPRT1 3761/4885HSD17B10 3329/4885ALDH1A1 1559/4885
US-11655203-B2 Nitration NOS1, NOS2, NOS3 HPRT1 1109/4885HSD17B10 2552/4885ALDH1A1 2335/4885

“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.