Sugi Predict

Sugi Predict / Compounds / SCHEMBL13145244

SCHEMBL13145244

SCHEMBL13145244

Cc1oc(-c2ccccc2)cc1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.46
▸ KMT2A Q03164 7/20 0.46
▸ MEN1 O00255 6/20 0.46
▸ HPGD P15428 4/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ MAOB P27338 2/20 0.44
▸ MAOA P21397 1/20 0.44
▸ MAPT P10636 4/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ TP53 P04637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ABCB1 P08183 1/20 0.40

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
SCHEMBL13791046 0.81 MAOB (0.41) ALDH1A1KMT2AMEN1MAOBMAOA
SCHEMBL3110128 0.80 MAOB (0.36) ALDH1A1KMT2AMEN1HPGDCYP1A2
SCHEMBL3095057 0.80 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1HPGDCYP1A2
SCHEMBL12896153 0.80 MAOB (0.41) ALDH1A1KMT2AMEN1HPGDCYP1A2
SCHEMBL3111415 0.78 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1HPGDCYP1A2
SCHEMBL3107043 0.78 MAOB (0.38) ALDH1A1KMT2AMEN1HPGDCYP1A2
SCHEMBL3106514 0.78 MAOB (0.38) ALDH1A1KMT2AMEN1HPGDCYP1A2
SCHEMBL3095541 0.78 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1HPGDCYP1A2
SCHEMBL347966 0.77 MAOB (0.53) ALDH1A1KMT2AMEN1HPGDCYP1A2
SCHEMBL3113043 0.77 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140370011-A1 METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES DARA BIOSCIENCES, INC. (US) 2014-12-18 — — US disclosed
US-20140086910-A1 METHODS OF TREATING OR PREVENTING ALZHEIMER'S DISEASE USING INDANE ACETIC ACID DERIVATIVES DARA BIOSCIENCES, INC. (US) 2014-03-27 — — US disclosed
US-8552203-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER HEALTHCARE LLC (US) 2013-10-08 — — US disclosed
US-7795261-B2 Substituted 1-piperidin-4-yl-4-pyrrolidin-3-yl-piperazine derivatives and their use as neurokinin antagonists JANSSEN PHARMACEUTICA NV (BE) 2010-09-14 — — US disclosed
US-7795261-B2 Substituted 1-piperidin-4-yl-4-pyrrolidin-3-yl-piperazine derivatives and their use as neurokinin antagonists JANSSEN PHARMACEUTICA NV (BE) 2010-09-14 — — 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 (2 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-20140086910-A1 METHODS OF TREATING OR PREVENTING ALZHEIMER'S DISEASE USING INDANE ACETIC ACID DERIVATIVES ACHE, CHAT, APP ALDH1A1 91/4885KMT2A 1378/4885MEN1 2634/4885
US-20140370011-A1 METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES CHAT, ACHE, AANAT ALDH1A1 98/4885KMT2A 1266/4885MEN1 3933/4885

“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.