SCHEMBL9990610

SCHEMBL9990610

C[n+]1c2ccccc2cc2c3ccccc3ccc21

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ CYP1B1 Q16678 1/20 0.50
▸ ACHE P22303 7/20 0.48
▸ CYP2A6 P11509 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ HPRT1 P00492 1/20 0.43
▸ CASP3 P42574 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ TERT O14746 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL26733830 0.90 ALDH1A1 (0.52) ALDH1A1HSD17B10HIF1ACYP1B1ACHE
SCHEMBL29464772 0.79 ATM (0.56) HIF1AACHE
SCHEMBL278568 0.79 ATM (0.56) HIF1AACHE
SCHEMBL2773903 0.77 CYP2A6 (0.48) ALDH1A1HSD17B10ACHECYP2A6CYP1A2
Iodide SCHEMBL11862696 0.77 ATM (0.54) HIF1AACHE
Bromide SCHEMBL11593076 0.77 ATM (0.54) HIF1AACHE
Iodide SCHEMBL8603379 0.77 ATM (0.54) HIF1AACHE
Iodide SCHEMBL30211080 0.77 ATM (0.54) HIF1AACHE
Hydrochloric Acid SCHEMBL11211685 0.77 ATM (0.54) HIF1AACHE
SCHEMBL28257139 0.76 CYP1A2 (0.47) ACHECYP2A6TERTCYP1A2

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-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 — — US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 — — US disclosed
WO-2011163610-A2 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-29 — — 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 (1 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-20130109713-A1 ANTIMICROBIAL AGENTS RPS4X, RPS4Y1, MRPL21 ALDH1A1 3775/4885HSD17B10 3692/4885HIF1A 4028/4885

“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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