SCHEMBL4916031

SCHEMBL4916031

Oc1cc2ccc3ccccc3c2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
HSD17B10 Q99714 5/20 0.58
HPGD P15428 2/20 0.58
USP2 O75604 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
KIF11 P52732 1/20 0.47
KDM4E B2RXH2 3/20 0.44
RAB9A P51151 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
CYP2A6 P11509 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.43
CDK4 P11802 2/20 0.43
CCND1 P24385 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL4420525 0.79 DAO (0.32) ALDH1A1HSD17B10HPGDUSP2MEN1
SCHEMBL28669933 0.77 ALDH1A1 (0.55) ALDH1A1HSD17B10HPGDUSP2MEN1
SCHEMBL30494604 0.75 ALDH1A1 (0.53) ALDH1A1HSD17B10HPGDUSP2MEN1
SCHEMBL7915531 0.75 ALDH1A1 (0.66) ALDH1A1HSD17B10HPGDUSP2MEN1
SCHEMBL3433646 0.75 ALDH1A1 (0.53) ALDH1A1HSD17B10HPGDUSP2MEN1
SCHEMBL29275406 0.75 ALDH1A1 (0.53) ALDH1A1HSD17B10HPGDUSP2MEN1
SCHEMBL15902077 0.74 DAO (0.43) ALDH1A1HSD17B10HPGDMEN1KMT2A
Iodide SCHEMBL27218977 0.73 ALDH1A1 (0.64) ALDH1A1HSD17B10HPGDUSP2MEN1
SCHEMBL29513389 0.73 HSD17B10 (1.00) ALDH1A1HSD17B10HPGDUSP2MEN1
SCHEMBL633784 0.73 ALDH1A1 (0.56) ALDH1A1HSD17B10HPGDUSP2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1986701-B1 OPTICAL AGENTS FOR USE IN SURGERY MALLINCKRODT LLC (US) 2012-06-13 EP claimed
US-11351274-B2 Methods of using optical agents MEDIBEACON INC. (US) 2022-06-07 US disclosed
US-11185597-B2 Process for using optical agents MEDIBEACON, INC. (US) 2021-11-30 US disclosed
US-10695445-B2 Methods of using optical agents MEDIBEACON INC. (US) 2020-06-30 US disclosed
US-20190192695-A1 PROCESS FOR USING OPTICAL AGENTS MALLINCKRODT LLC 2019-06-27 US disclosed
US-20190192696-A1 METHODS OF USING OPTICAL AGENTS MALLINCKRODT LLC 2019-06-27 US disclosed
US-20190022256-A1 METHODS OF USING OPTICAL AGENTS MALLINCKRODT LLC 2019-01-24 US disclosed
US-10137207-B2 Methods of using optical agents MEDIBEACON, INC. (US) 2018-11-27 US disclosed
US-9283288-B2 Methods of using optical agents MEDIBEACON, INC. (US) 2016-03-15 US disclosed
US-20160045619-A1 METHODS OF USING OPTICAL AGENTS MALLINCKRODT INC. 2016-02-18 US disclosed
EP-1986701-B1 OPTICAL AGENTS FOR USE IN SURGERY MALLINCKRODT LLC (US) 2012-06-13 EP disclosed
US-20080312539-A1 Methods of Using Optical Agents MEDIBEACON, INC. 2008-12-18 US disclosed
EP-1986701-A2 PROCESS FOR USING OPTICAL AGENTS MALLINCKRODT, INC. (US) 2008-11-05 EP disclosed
WO-2007106142-A2 PROCESS FOR USING OPTICAL AGENTS MALLINCKRODT INC. (US) 2007-09-20 WO 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 (8 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-20160045619-A1 METHODS OF USING OPTICAL AGENTS REN, ATP6V1B1, VHL ALDH1A1 2024/4885HSD17B10 4862/4885HPGD 2339/4885
US-10695445-B2 Methods of using optical agents REN, ATP6V1B1, VHL ALDH1A1 2024/4885HSD17B10 4862/4885HPGD 2339/4885
US-20190022256-A1 METHODS OF USING OPTICAL AGENTS REN, ATP6V1B1, VHL ALDH1A1 2024/4885HSD17B10 4862/4885HPGD 2339/4885
US-20190192695-A1 PROCESS FOR USING OPTICAL AGENTS REN, ATP6V1B1, VHL ALDH1A1 1866/4885HSD17B10 4836/4885HPGD 2649/4885
US-11185597-B2 Process for using optical agents REN, ATP6V1B1, VHL ALDH1A1 1866/4885HSD17B10 4836/4885HPGD 2649/4885
US-11351274-B2 Methods of using optical agents REN, ATP6V1B1, VHL ALDH1A1 2024/4885HSD17B10 4862/4885HPGD 2339/4885
US-20190192696-A1 METHODS OF USING OPTICAL AGENTS REN, ATP6V1B1, VHL ALDH1A1 2024/4885HSD17B10 4862/4885HPGD 2339/4885
US-10137207-B2 Methods of using optical agents REN, ATP6V1B1, VHL ALDH1A1 2024/4885HSD17B10 4862/4885HPGD 2339/4885

“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.