SCHEMBL9110073

SCHEMBL9110073

CC(C)C1=CC2=CCC3[C@](C)(CN)CCC[C@]3(C)C2CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 5/20 0.79
▸ MAPK1 P28482 3/20 0.79
▸ ALDH1A1 P00352 2/20 0.79
▸ LMNA P02545 2/20 0.79
▸ PDK1 Q15118 3/20 0.67
▸ PDK2 Q15119 3/20 0.67
▸ PDK3 Q15120 3/20 0.67
▸ PDK4 Q16654 3/20 0.67
▸ CYP3A4 P08684 5/20 0.64
▸ HSD17B10 Q99714 3/20 0.64
▸ CYP2C19 P33261 3/20 0.64
▸ MAPT P10636 3/20 0.64
▸ CYP2C9 P11712 2/20 0.64
▸ SLCO1B3 Q9NPD5 1/20 0.64
▸ SLCO1B1 Q9Y6L6 1/20 0.64
▸ GABRA1 P14867 1/20 0.64
▸ GABRB2 P47870 1/20 0.64
▸ KDM4E B2RXH2 1/20 0.64
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49

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
SCHEMBL31037050 1.00 ALOX15 (0.79) ALOX15MAPK1ALDH1A1LMNAPDK1
SCHEMBL6536466 1.00 ALOX15 (0.79) ALOX15MAPK1ALDH1A1LMNAPDK1
SCHEMBL29415087 1.00 ALOX15 (0.79) ALOX15MAPK1ALDH1A1LMNAPDK1
SCHEMBL9110079 1.00 ALOX15 (0.79) ALOX15MAPK1ALDH1A1LMNAPDK1
Acetic Acid SCHEMBL11355849 0.94 ALOX15 (0.73) ALOX15MAPK1ALDH1A1LMNAPDK1
Pentachlorophenol SCHEMBL11384430 0.91 ALOX15 (0.69) ALOX15MAPK1ALDH1A1LMNAPDK1
SCHEMBL3952646 0.88 ALOX15 (0.79) ALOX15MAPK1ALDH1A1LMNAPDK1
SCHEMBL3952647 0.88 ALOX15 (0.79) ALOX15MAPK1ALDH1A1LMNAPDK1
SCHEMBL12417301 0.88 ALOX15 (1.00) ALOX15MAPK1ALDH1A1LMNAPDK1
SCHEMBL460212 0.88 ALOX15 (1.00) ALOX15MAPK1ALDH1A1LMNAPDK1

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
US-20140322304-A1 COMPOSITIONS AND METHODS RELATING TO PROLIFERATIVE DISEASES THE PENN STATE RESEARCH FOUNDATION 2014-10-30 — — US claimed
US-20120141578-A1 COMPOSITIONS AND METHODS RELATING TO PROLIFERATIVE DISEASES THE PENN STATE RESEARCH FOUNDATION (US) 2012-06-07 — — US claimed
EP-3229811-B1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GRI BIO INC (US) 2021-02-24 — — EP disclosed
US-9839618-B2 Compositions and methods relating to proliferative diseases THE PENN STATE RESEARCH FOUNDATION (US) 2017-12-12 — — US disclosed
US-9839618-B2 Compositions and methods relating to proliferative diseases THE PENN STATE RESEARCH FOUNDATION (US) 2017-12-12 — — US disclosed
US-20170079936-A1 COMPOSITIONS AND METHODS RELATING TO PROLIFERATIVE DISEASES THE PENN STATE RESEARCH FOUNDATION 2017-03-23 — — US disclosed
US-20170079936-A1 COMPOSITIONS AND METHODS RELATING TO PROLIFERATIVE DISEASES THE PENN STATE RESEARCH FOUNDATION 2017-03-23 — — US disclosed
US-9556101-B2 Compositions and methods relating to proliferative diseases THE PENN STATE RESEARCH FOUNDATION (US) 2017-01-31 — — US disclosed
US-9556101-B2 Compositions and methods relating to proliferative diseases THE PENN STATE RESEARCH FOUNDATION (US) 2017-01-31 — — US disclosed
WO-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 — — WO disclosed
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS ALTIUM GROWTH FUND, LP 2016-06-09 — — US disclosed
US-20140322304-A1 COMPOSITIONS AND METHODS RELATING TO PROLIFERATIVE DISEASES THE PENN STATE RESEARCH FOUNDATION 2014-10-30 — — US disclosed
US-8785502-B2 Compositions and methods relating to proliferative diseases THE PENN STATE RESEARCH FOUNDATION (US) 2014-07-22 — — US disclosed
US-20120141578-A1 COMPOSITIONS AND METHODS RELATING TO PROLIFERATIVE DISEASES THE PENN STATE RESEARCH FOUNDATION (US) 2012-06-07 — — 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 (4 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-20140322304-A1 COMPOSITIONS AND METHODS RELATING TO PROLIFERATIVE DISEASES PCNA, DERA, TOP2A ALOX15 552/4885MAPK1 1360/4885ALDH1A1 592/4885
US-20120141578-A1 COMPOSITIONS AND METHODS RELATING TO PROLIFERATIVE DISEASES PCNA, DERA, TOP2A ALOX15 552/4885MAPK1 1360/4885ALDH1A1 592/4885
US-20170079936-A1 COMPOSITIONS AND METHODS RELATING TO PROLIFERATIVE DISEASES PCNA, DERA, TOP2A ALOX15 552/4885MAPK1 1360/4885ALDH1A1 592/4885
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 ALOX15 1535/4885MAPK1 2188/4885ALDH1A1 999/4885

“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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